SCHEMBL7367834

SCHEMBL7367834

CNc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
PARP10 Q53GL7 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL6654456 0.85 NR4A1 (0.51) KMT2AALDH1A1LMNATDP1SLC6A2
SCHEMBL7399817 0.83 RAB9A (0.49) RAB9AKMT2AGAAALDH1A1LMNA
SCHEMBL6645697 0.82 LMNA (0.45) RAB9AKMT2AALDH1A1LMNATDP1
SCHEMBL7404735 0.82 ALDH1A1 (0.50) RAB9AKMT2AALDH1A1LMNATDP1
SCHEMBL5045569 0.82 LMNA (0.45) KMT2AALDH1A1LMNATDP1SLC6A2
SCHEMBL6645702 0.82 LMNA (0.45) RAB9AKMT2AALDH1A1LMNATDP1
SCHEMBL5177381 0.82 LMNA (0.45) KMT2AALDH1A1LMNATDP1SLC6A2
Hydrochloric Acid SCHEMBL5045567 0.81 MAOB (0.45) KMT2AALDH1A1LMNATDP1SLC6A2
Hydrochloric Acid SCHEMBL5045565 0.81 MAOB (0.45) KMT2AALDH1A1LMNATDP1SLC6A2
SCHEMBL8030438 0.81 CTSV (0.38) RAB9AKMT2AGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed