SCHEMBL31049356

SCHEMBL31049356

COc1cccc2c(F)cn(CCCCn3cc(Br)cn3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.47
▸ HASPIN Q8TF76 1/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL31049311 0.89 CNR2 (0.37) CNR2ALDH1A1HPGDKMT2AJAK3
SCHEMBL31049393 0.86 ICMT (0.41) CNR2ALDH1A1GAAHPGDHTT
SCHEMBL31049268 0.85 ALDH1A1 (0.36) CNR2ALDH1A1GAAHPGDHTT
SCHEMBL31049571 0.83 ALDH1A1 (0.36) CNR2ALDH1A1KDM4EGAAHPGD
SCHEMBL31049305 0.81 PLAU (0.34) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL31049532 0.76 ALDH1A1 (0.36) CNR2ALDH1A1GAAHPGDHTT
SCHEMBL31049388 0.74 MEN1 (0.33) CDK2CDK9HDAC1HDAC6HDAC3
SCHEMBL31049581 0.68 IP6K1 (0.33) —
SCHEMBL22994867 0.68 CYP19A1 (0.45) CNR2HASPINALDH1A1KDM4EGLA
SCHEMBL31049503 0.67 AR (0.32) —

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-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
Send feedback