SCHEMBL27540979

SCHEMBL27540979

CC(C)CNc1sc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM6B O15054 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
GRIN2C Q14957 1/20 0.40
PTPN1 P18031 4/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 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
SCHEMBL5864700 0.86 MAPT (0.56) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL5864648 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL27436187 0.82 PTGER4 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5555718 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL6317833 0.77 NPSR1 (0.55) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL5865211 0.71 ALOX15 (0.56) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL6030460 0.71 EPHX1 (0.54) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL24489087 0.70 ALDH1A1 (0.60) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL5192913 0.70 NPSR1 (0.48) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL5096639 0.69 ALDH1A1 (0.73) ALDH1A1MAPTHPGDNPSR1KDM4E

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
CN-1122037-C Thieno [2, 3-d ] pyrimidinediones, preparation method and use thereof, and pharmaceutical compositions containing the same ASTRA PHARMA PROD (GB) 2003-09-24 CN disclosed
CN-1264382-A Novel compounds ASTRA PHARMA PROD (GB) 2000-08-23 CN disclosed