SCHEMBL31406243

SCHEMBL31406243

CCCn1ccc2c(C)cc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
GRM2 Q14416 11/20 0.36
LMNA P02545 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
KCNN3 Q9UGI6 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
SCHEMBL31406222 0.83 GRM2 (0.35) GRM2HRH4
SCHEMBL31406227 0.81 BACE1 (0.40) GRM2HSP90AA1HRH4
SCHEMBL30503534 0.78 KDM4E (0.41) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL26631311 0.78 KDM4E (0.41) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL2540471 0.75 KDM4E (0.40) KDM4ECYP3A4CYP2C19HIF1AGRM2
SCHEMBL32682407 0.73 GRM2 (0.36) KDM4EGRM2LMNA
SCHEMBL16548362 0.72 CCR1 (0.38) GRM2
SCHEMBL31406223 0.72 PDE1A (0.43) KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL30899670 0.71 BRD9 (0.39)
SCHEMBL30611846 0.70 CYP19A1 (0.32) KDM4ECYP3A4CYP2C19HIF1AHSP90AA1

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-119562952-A KIF18A inhibitors 山东轩竹医药科技有限公司 2025-03-04 CN disclosed