SCHEMBL6989559

SCHEMBL6989559

Cc1oc(-c2cccc(Br)c2)nc1C(C)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
RXFP1 Q9HBX9 2/20 0.41
POLB P06746 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 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
SCHEMBL5123679 0.86 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5103142 0.75 RXFP1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
Ethane SCHEMBL5123686 0.75 NPC1 (0.51) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4470757 0.73 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6989552 0.73 PPARG (0.54) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5479662 0.72 RXFP1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL3973842 0.72 RXFP1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4478483 0.72 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4468392 0.72 RAB9A (0.43) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5099375 0.71 KDM4E (0.72) NPC1RAB9AKMT2AMEN1KDM4E

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-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed