SCHEMBL9952846

SCHEMBL9952846

COc1nc(C)c(Br)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.41
GPR35 Q9HC97 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.37
TPMT P51580 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL20472365 0.89 HSD17B10 (0.41) HSD17B10POLBTDP1LCKFYN
SCHEMBL14931958 0.86 HSD17B10 (0.51) HSD17B10POLBTDP1LCKFYN
SCHEMBL2431761 0.85 GAA (0.54) KDM4EALDH1A1HPGDGAAL3MBTL1
SCHEMBL3448712 0.82 CNR1 (0.41) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL30468364 0.80 ALDH1A1 (0.49) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL20472500 0.80 ALDH1A1 (0.49) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL31368889 0.79 TDP1 (0.49) HSD17B10POLBTDP1KDM4EALDH1A1
SCHEMBL7810927 0.79 POLB (0.45) HSD17B10POLBTDP1LCKFYN
SCHEMBL2437655 0.77 AKR1C4 (0.41) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL30483667 0.77 AKR1C4 (0.41) HSD17B10LCKFYNKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
WO-2018148626-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-16 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed