SCHEMBL31425656

SCHEMBL31425656

CC(C)n1c(=O)[nH]c2nnc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.43
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAOB P27338 1/20 0.36
MTOR P42345 1/20 0.35
CCR4 P51679 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL31425650 0.78 PDE3B (0.49) PGRCYP3A4MAPTALDH1A1THRB
SCHEMBL29703162 0.73 PGR (0.52) PGRPOLBMAOB
SCHEMBL15749197 0.73 PGR (0.52) PGRPOLBMAOB
SCHEMBL18238156 0.72 POLB (0.47) PGRPOLBCYP3A4CYP2B6MAOB
SCHEMBL19174042 0.72
SCHEMBL17807828 0.70 MAOB (0.44) PGRPOLBCYP3A4CYP2B6MAOB
SCHEMBL19836475 0.70 AURKA (0.42) PGRPOLBMAOBMTORMAPT
SCHEMBL828859 0.70 POLB (0.41) PGRPOLBCYP3A4CYP2B6MAOB
SCHEMBL15740630 0.70 PGR (0.49) PGRPOLBMAOBCCR4MAPT
SCHEMBL31425662 0.69 HSD17B10 (0.40) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604505-A Heterocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2025-03-11 CN disclosed