SCHEMBL29947706

SCHEMBL29947706

Cc1ccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)nc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LRRK2 Q5S007 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
LCK P06239 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL24729511 1.00 HSD17B10 (0.62) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24729444 0.86 HSD17B10 (0.62) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29947660 0.86 HSD17B10 (0.62) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24729471 0.85 HSD17B10 (0.77) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29947458 0.85 HSD17B10 (0.77) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24729236 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL29947547 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL14807662 0.81 MAP3K5 (0.70) HSD17B10SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL24729308 0.81 HSD17B10 (0.64) HSD17B10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29947487 0.81 HSD17B10 (0.64) HSD17B10SMN1; SMN2MEN1KMT2APOLB

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