SCHEMBL31049571

SCHEMBL31049571

Oc1cccc2c(F)cn(CCCCn3cc(Br)cn3)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ ICMT O60725 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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 0.89 ICMT (0.41) ALDH1A1CNR2PLAUELANEGAA
SCHEMBL31049268 0.86 ALDH1A1 (0.36) ALDH1A1CNR2PLAUELANEGAA
SCHEMBL31049356 0.83 CNR2 (0.47) ALDH1A1CNR2GAAHTTHPGD
SCHEMBL31049305 0.81 PLAU (0.34) ALDH1A1CNR2PLAUELANEGAA
SCHEMBL31049311 0.79 CNR2 (0.37) ALDH1A1CNR2LMNAHPGDMAPK1
SCHEMBL31049532 0.76 ALDH1A1 (0.36) ALDH1A1CNR2PLAUELANEGAA
SCHEMBL31049293 0.73 ALDH1A1 (0.34) ALDH1A1PLAUELANEGAAHTT
SCHEMBL31049581 0.70 IP6K1 (0.33) LMNASMN1; SMN2
SCHEMBL31049503 0.69 AR (0.32) —
SCHEMBL16065410 0.65 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
Send feedback