SCHEMBL6013323

SCHEMBL6013323

C=CCNC(=O)c1cc(N)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
HPGD P15428 9/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6013184 0.93 RAB9A (0.64) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL31574337 0.92 RAB9A (0.66) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL16263520 0.90 RAB9A (0.64) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL7112031 0.84 RAB9A (0.75) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL9614759 0.83 RAB9A (0.53) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL8088101 0.80 RAB9A (0.64) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL5804219 0.79 RAB9A (0.51) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL13745733 0.77 HPGD (0.58) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL9536808 0.77 SMN1; SMN2 (0.57) RAB9AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL16263501 0.76 RAB9A (0.64) RAB9AHPGDALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408654-B1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID MALLINCKRODT INC (US) 1995-05-24 EP claimed
EP-0484328-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. MALLINCKRODT INC (US) 1992-05-13 EP claimed
US-5013865-A X-ray contrast media, controlled stoichiometry and kinetics MALLINCKRODT, INC. (US) 1991-05-07 US claimed
WO-1991001296-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS MALLINCKRODT, INC. (US) 1991-02-07 WO claimed
EP-0408654-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID. MALLINCKRODT INC (US) 1991-01-23 EP claimed
WO-1989009766-A2 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID MALLINCKRODT, INC. (US) 1989-10-19 WO claimed
EP-0983227-B8 PREPARATION OF TRI-IODO BENZENE COMPOUNDS GE HEALTHCARE AS (NO) 2006-10-25 EP disclosed
EP-0983227-B1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS AMERSHAM HEALTH AS (NO) 2006-08-30 EP disclosed
US-RE38856-E1 Preparation of tri-iodo benzene compounds AMERSHAM HEALTH AS (NO) 2005-10-25 US disclosed
CN-1152854-C Preparation of tri-iodo benzene compound ��Īɳķ������˾ 2004-06-09 CN disclosed
EP-0984922-B1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 2002-08-07 EP disclosed
EP-0762900-B1 IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION MALLINCKRODT INC (US) 2001-11-21 EP disclosed
US-6274762-B1 Preparation of tri-iodo benzene compounds NYCOMED IMAGING AS (NO) 2001-08-14 US disclosed
WO-1991001296-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS MALLINCKRODT, INC. (US) 1991-02-07 WO disclosed
WO-1991001296-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS MALLINCKRODT, INC. (US) 1991-02-07 WO disclosed
EP-0408654-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID. MALLINCKRODT INC (US) 1991-01-23 EP disclosed
EP-0408654-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID. MALLINCKRODT INC (US) 1991-01-23 EP disclosed
WO-1989009766-A3 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID MALLINCKRODT INC (US) 1989-11-16 WO disclosed
WO-1989009766-A2 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID MALLINCKRODT, INC. (US) 1989-10-19 WO disclosed
WO-1989009766-A2 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID MALLINCKRODT, INC. (US) 1989-10-19 WO disclosed