SCHEMBL7825264

SCHEMBL7825264

CCOC(=O)C(Cc1ccc2c(c1)OCO2)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 2/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SFN P31947 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
AURKA O14965 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
SCHEMBL6778505 0.89 HPGD (0.50) HSD17B10KMT2AMEN1LMNAMAPK1
SCHEMBL7836351 0.88 RAB9A (0.42) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL7837513 0.88 NPC1 (0.38) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL6783293 0.86 HSD17B10 (0.54) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL7825718 0.86 TP53 (0.47) KMT2AMEN1POLBALDH1A1TP53
SCHEMBL7339157 0.85 TACR1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7340345 0.85 TP53 (0.39) NPC1RAB9ALMNATP53
SCHEMBL7341105 0.85 CTSL (0.46) KMT2AMEN1ALDH1A1TP53
SCHEMBL7341748 0.85 TACR1 (0.41) KMT2AMEN1POLBALDH1A1TP53
SCHEMBL7344058 0.84 GLA (0.41) NPC1RAB9AKMT2AMEN1LMNA

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 1 patent. 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