SCHEMBL31049393

SCHEMBL31049393

Fc1cn(CCCCn2cc(Br)cn2)c2c(F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ PLAU P00749 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PCSK9 Q8NBP7 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 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
SCHEMBL31049571 0.89 ALDH1A1 (0.36) ICMTALDH1A1CNR1CNR2PLAU
SCHEMBL31049268 0.89 ALDH1A1 (0.36) ICMTALDH1A1CNR1CNR2PLAU
SCHEMBL31049532 0.86 ALDH1A1 (0.36) ICMTALDH1A1CNR1CNR2PLAU
SCHEMBL31049356 0.86 CNR2 (0.47) ALDH1A1CNR2GAAHTTKMT2A
SCHEMBL31049305 0.84 PLAU (0.34) ICMTALDH1A1CNR1CNR2PLAU
SCHEMBL31049311 0.82 CNR2 (0.37) ALDH1A1CNR2LMNAKMT2AMAPK1
SCHEMBL31049581 0.76 IP6K1 (0.33) LMNAPKM
SCHEMBL31049269 0.72 ALDH1A1 (0.35) ALDH1A1PLAUELANEGAAHTT
SCHEMBL31049503 0.72 AR (0.32) —
SCHEMBL17406960 0.68 ALDH1A1 (0.40) ALDH1A1GAAHTTRAB9ATSHR

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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