SCHEMBL8567162

SCHEMBL8567162

CCCCn1nnc(-c2ccccc2Br)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
GRM2 Q14416 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
DDX3X O00571 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4411938 0.80 RAB9A (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28704926 0.77 RAB9A (0.48) NPC1RAB9AMEN1KMT2ADDX3X
SCHEMBL4403796 0.75 RAB9A (0.56) RAB9ATRPV1USP2TSHR
SCHEMBL26717815 0.74 TRPV1 (0.56) RAB9ATRPV1USP2TSHR
SCHEMBL4404394 0.74 TRPV1 (0.56) RAB9ATRPV1USP2TSHR
SCHEMBL25787257 0.72 DDX3X (0.55) NPC1RAB9AMEN1KMT2ADDX3X
SCHEMBL25808664 0.71 RAB9A (0.43) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL17978449 0.71 LMNA (0.71) NPC1RAB9AKMT2ADDX3XTRPV1
SCHEMBL4405209 0.70 TOP2A (0.40) NPC1RAB9AMEN1KMT2AGRM2
SCHEMBL9210936 0.70 MAPT (0.40) NPC1RAB9AMEN1KMT2ADDX3X

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-0846117-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-10 EP disclosed
WO-1996040684-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO disclosed