SCHEMBL7834296

SCHEMBL7834296

O=C(CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR132 Q9UNW8 6/20 0.49
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 4/20 0.47
CMKLR2 P46091 1/20 0.46
CMKLR1 Q99788 1/20 0.46

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
SCHEMBL6778227 0.92 TSHR (0.58) NPC1TSHRSMN1; SMN2L3MBTL1GPR132
SCHEMBL7836171 0.91 TSHR (0.56) NPC1TSHRSMN1; SMN2L3MBTL1GPR132
SCHEMBL7340514 0.90 TSHR (0.52) NPC1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7337671 0.88 GPR132 (0.54) TSHRSMN1; SMN2L3MBTL1GPR132NAMPT
SCHEMBL7370870 0.86 SMN1; SMN2 (0.54) NPC1KMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL7341632 0.85 TSHR (0.49) NPC1TSHRSMN1; SMN2L3MBTL1GPR132
SCHEMBL7349960 0.84 GPR132 (0.53) TSHRSMN1; SMN2L3MBTL1GPR132CMKLR2
SCHEMBL7834945 0.84 GPR132 (0.52) TSHRGPR132CMKLR2CMKLR1
SCHEMBL7347793 0.84 ITGB1 (0.49) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7341225 0.84 SUCNR1 (0.53) NPC1MEN1KMT2ATSHRSMN1; 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 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 claimed