SCHEMBL29947487

SCHEMBL29947487

Cc1ccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
LCK P06239 5/20 0.57
LRRK2 Q5S007 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
KLK7 P49862 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.55
SCD O00767 2/20 0.55
MAP3K5 Q99683 1/20 0.54

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
SCHEMBL24729308 1.00 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL24729516 0.91 NPC1 (0.54) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL29947521 0.89 HSD17B10 (0.67) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL24729401 0.89 HSD17B10 (0.67) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL29947591 0.87 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL24729347 0.87 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL29947652 0.86 HSD17B10 (0.73) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL24729349 0.86 HSD17B10 (0.73) HSD17B10HSD17B1HSD17B2MEN1KMT2A
SCHEMBL24729471 0.86 HSD17B10 (0.77) HSD17B10MEN1KMT2APOLBRXFP1
SCHEMBL29947458 0.86 HSD17B10 (0.77) HSD17B10MEN1KMT2APOLBRXFP1

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-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO claimed
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO disclosed