SCHEMBL31049581

SCHEMBL31049581

Fc1cn(CCCCn2cc(Br)cn2)c2c(F)cc(N3CCCC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.33
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PKM P14618 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
SCHEMBL31049408 0.76 IP6K1 (0.32) IP6K1
SCHEMBL31049393 0.76 ICMT (0.41) LMNAPKM
SCHEMBL31049268 0.70 ALDH1A1 (0.36) LMNA
SCHEMBL31049571 0.70 ALDH1A1 (0.36) LMNASMN1; SMN2
SCHEMBL31049503 0.70 AR (0.32) —
SCHEMBL31049356 0.68 CNR2 (0.47) —
SCHEMBL31049343 0.68 GRIN2B (0.32) —
SCHEMBL31049305 0.67 PLAU (0.34) LMNASMN1; SMN2
SCHEMBL30786269 0.66 HRH3 (0.41) —
SCHEMBL31049532 0.64 ALDH1A1 (0.36) LMNA

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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