SCHEMBL7347643

SCHEMBL7347643

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CYP19A1 P11511 3/20 0.43
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PAX8 Q06710 2/20 0.40
ABCB1 P08183 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL7344542 0.94 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7338638 0.92 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7338948 0.85 CYP19A1 (0.53) RXRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7339290 0.85 RXRA (0.47) RXRAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7373360 0.83 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL7409598 0.83 CYP19A1 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7345680 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7373593 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7376935 0.83 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL7374234 0.81 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed