SCHEMBL30513596

SCHEMBL30513596

Nc1ccc2c(c1)C(=O)CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
HSD17B10 Q99714 1/20 0.70
PBRM1 Q86U86 1/20 0.59
TYMS P04818 1/20 0.49
CA9 Q16790 1/20 0.48
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL460333 1.00 CASP1 (0.70) CASP1CASP7HSD17B10PBRM1TYMS
Hydrochloric Acid SCHEMBL3873080 0.98 CASP1 (0.68) CASP1CASP7HSD17B10PBRM1TYMS
SCHEMBL656011 0.88 CASP1 (0.55) CASP1CASP7HSD17B10PBRM1TYMS
SCHEMBL30067461 0.88 CASP1 (0.55) CASP1CASP7HSD17B10PBRM1TYMS
SCHEMBL4878376 0.88 CASP1 (0.55) CASP1CASP7HSD17B10PBRM1TYMS
SCHEMBL16559372 0.84 CASP1 (0.55) CASP1CASP7HSD17B10PBRM1TYMS
SCHEMBL434358 0.83 CASP1 (1.00) CASP1CASP7HSD17B10PBRM1CA9
Hydrochloric Acid SCHEMBL27821207 0.81 CASP1 (0.96) CASP1CASP7HSD17B10PBRM1CA9
SCHEMBL3278777 0.80 MAPT (0.54) CASP1CASP7HSD17B10TYMSCA9
SCHEMBL6362924 0.80 CASP1 (0.47) CASP1CASP7HSD17B10PBRM1TYMS

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
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
CN-118546121-A Compounds as Kif18A inhibitors 江苏星盛新辉医药有限公司 2024-08-27 CN disclosed
CN-112759549-B 3-substituted amino-4- ((substituted pyridinyl) amino) cyclobut-3-ene-1, 2-dione compounds 中国医学科学院药物研究所 2023-07-28 CN disclosed