SCHEMBL5301489

SCHEMBL5301489

COc1ccccc1-c1ccc(CCC(=O)Nc2cscc2C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SELL P14151 3/20 0.43
SELP P16109 3/20 0.43
SELE P16581 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5306769 0.82 HCAR2 (0.54) HCAR2HPGDKDM4ESMN1; SMN2
SCHEMBL14340837 0.80 HCAR2 (0.63) HCAR2ALDH1A1L3MBTL1SELLSELP
SCHEMBL5300831 0.79 HCAR2 (0.48) HCAR2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL5299672 0.74 HCAR2 (0.53) HCAR2HPGDKDM4ESMN1; SMN2
SCHEMBL5307245 0.73 KDM4E (0.52) HCAR2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL3551053 0.73 HCAR2 (0.56) HCAR2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL5356977 0.73 ALDH1A1 (0.48) HCAR2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL5329176 0.72 DHODH (0.53) HCAR2ALDH1A1GAAL3MBTL1
SCHEMBL3554946 0.72 KDM4E (0.47) HCAR2ALDH1A1GAAHSD17B10MAPT
SCHEMBL14340845 0.70 HCAR2 (0.67) HCAR2ALDH1A1KMT2ALMNASMN1; 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
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed