SCHEMBL7337769

SCHEMBL7337769

CCOC(=O)C(Cc1ccco1)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CTSL P07711 1/20 0.42
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.38
HTT P42858 1/20 0.37
GPR139 Q6DWJ6 2/20 0.37

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
SCHEMBL7340198 0.88 NPC1 (0.45) POLBMAPTPKML3MBTL1NPC1
SCHEMBL7825718 0.86 TP53 (0.47) POLBALDH1A1MEN1KMT2AGPR139
SCHEMBL7838138 0.85 POLB (0.37) POLBNPC1RAB9AALDH1A1MEN1
SCHEMBL7837701 0.85 NPC1 (0.45) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL7341748 0.85 TACR1 (0.41) POLBALDH1A1MEN1KMT2AGPR139
SCHEMBL7341105 0.83 CTSL (0.46) CTSLALDH1A1MEN1KMT2AGPR139
SCHEMBL7340345 0.83 TP53 (0.39) NPC1RAB9AGPR139
SCHEMBL7340072 0.83 POLB (0.38) POLBNPC1RAB9AMAPK1MEN1
SCHEMBL7344058 0.83 GLA (0.41) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL7339503 0.83 KMT2A (0.42) MAPTNPC1RAB9AALDH1A1MEN1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed