SCHEMBL3227975

SCHEMBL3227975

CCOC(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1.O=C(Nc1ccc(-c2cc(C(=O)O)on2)cc1)Nc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CSGALNACT1 Q8TDX6 11/20 0.51
NPC1 O15118 5/20 0.49
MAPT P10636 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.45

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
SCHEMBL2298617 0.96 RAB9A (0.57) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3237097 0.92 RAB9A (0.52) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2297791 0.89 RAB9A (0.58) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2293812 0.87 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2297887 0.84 MAPT (0.62) RAB9ASMN1; SMN2MEN1KMT2ACSGALNACT1
SCHEMBL2297570 0.84 CSGALNACT1 (0.56) RAB9ASMN1; SMN2MEN1KMT2ACSGALNACT1
SCHEMBL3231890 0.82 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3237048 0.81 CSGALNACT1 (0.67) CSGALNACT1
SCHEMBL2299999 0.78 MEN1 (0.60) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2298410 0.78 CSGALNACT1 (0.56) RAB9ASMN1; SMN2MEN1KMT2AKDM4E

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
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed