SCHEMBL7498087

SCHEMBL7498087

CCCCc1nc(CO)c(SCc2ccc(OC)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 3/20 0.42
MMP13 P45452 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
CTSB P07858 1/20 0.40
HTT P42858 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APP P05067 1/20 0.38

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
Methane SCHEMBL7498094 0.85 NPC1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7498591 0.81 NPC1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8691236 0.79 NPC1 (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7498083 0.77 NPC1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7491139 0.77 CTSB (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8435193 0.74 SMN1; SMN2 (0.42) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7491485 0.74 TSHR (0.42) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL7489824 0.74 THRB (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3841049 0.72 FFAR1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8043911 0.71 TARBP2 (0.46) NPC1RAB9AKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638572-B1 Bicyclic derivatives of imidazole, process for their preparation, intermediates; their application as medicaments and pharmaceutical compostions containing them AVENTIS PHARMA SA (FR) 2002-12-04 EP disclosed
US-5714508-A INHIBITORS OF ANGIOTENSIN II ROUSSEL UCLAF (FR) 1998-02-03 US disclosed