SCHEMBL31049305

SCHEMBL31049305

CP(C)(=O)c1cccc2c(F)cn(CCCCn3cc(Br)cn3)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ICMT O60725 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31049393 0.84 ICMT (0.41) PLAUELANEALDH1A1GAAHTT
SCHEMBL31049268 0.83 ALDH1A1 (0.36) PLAUELANEALDH1A1GAAHTT
SCHEMBL31049571 0.81 ALDH1A1 (0.36) PLAUELANEALDH1A1GAAHTT
SCHEMBL31049356 0.81 CNR2 (0.47) ALDH1A1GAAHTTCNR2KDM4E
SCHEMBL31049311 0.79 CNR2 (0.37) ALDH1A1LMNACNR2
SCHEMBL31049532 0.72 ALDH1A1 (0.36) PLAUELANEALDH1A1GAAHTT
SCHEMBL31049581 0.67 IP6K1 (0.33) LMNASMN1; SMN2
SCHEMBL31049269 0.64 ALDH1A1 (0.35) PLAUELANEALDH1A1GAAHTT
SCHEMBL1228571 0.63 ALDH1A1 (0.41) ALDH1A1LMNATSHRKDM4E
SCHEMBL16065410 0.62 ALDH1A1 (0.40) ALDH1A1GAAHTTRAB9ALMNA

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
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