SCHEMBL14549321

SCHEMBL14549321

Cc1sc(C(=O)O)c(C)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
ADORA2A P29274 1/20 0.39
GRIA4 P48058 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL16863715 0.84 ALDH1A1 (0.41) RXFP1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL18430437 0.81 ALDH1A1 (0.50) RXFP1NPSR1ALDH1A1HSD17B10TSHR
SCHEMBL9097378 0.81 MELK (0.41) NPSR1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL3139290 0.81 GRIA4 (0.37) ALDH1A1HSD17B10TSHRMAPK1GAA
SCHEMBL1313857 0.81 ALDH1A1 (0.62) GPR35RXFP1PKMNPSR1ALDH1A1
SCHEMBL6772083 0.78 GRIA4 (0.53) GPR35RXFP1PKMNPSR1ALDH1A1
SCHEMBL14421497 0.77 RXFP1 (0.63) RXFP1ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL2550483 0.74 ALDH1A1 (0.41) RXFP1PKMNPSR1ALDH1A1HSD17B10
SCHEMBL16311870 0.73 GPR35 (0.50) GPR35RXFP1PKMNPSR1ALDH1A1
SCHEMBL17194346 0.73 POLB (0.49) RXFP1PKMNPSR1ALDH1A1HSD17B10

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-1377642-B1 COLORING COMPOSITION FOR IMAGE FORMATION AND METHOD FOR IMPROVING OZONE RESISTANCE OF COLOR IMAGE FUJIFILM CORP (JP) 2013-01-09 EP disclosed