SCHEMBL29947467

SCHEMBL29947467

O=C(O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.72
RAB9A P51151 4/20 0.71
MAPT P10636 3/20 0.71
NPC1 O15118 3/20 0.71
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.67
HSD17B10 Q99714 2/20 0.66
TP53 P04637 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
POLB P06746 1/20 0.62
LMNA P02545 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LRRK2 Q5S007 1/20 0.58
ABL1 P00519 1/20 0.58
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55

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
SCHEMBL24729555 1.00 SCD (0.72) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL24729426 0.91 SCD (0.72) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL24729560 0.86 HSD17B10 (0.65) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL2190910 0.86 SCD (0.72) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL10065620 0.86 LRRK2 (0.76) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL24729344 0.85 NPC1 (0.67) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL29947460 0.85 HSD17B10 (0.73) SCDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL24729341 0.85 HSD17B10 (0.73) SCDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL24729229 0.84 HSD17B10 (0.63) SCDRAB9AMAPTNPC1ALDH1A1
SCHEMBL4921088 0.84 SCD (1.00) SCDRAB9AMAPTNPC1ALDH1A1

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