SCHEMBL31049273

SCHEMBL31049273

COCCOc1cccc2c(F)c(CCCCn3cc(Br)cn3)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ FEN1 P39748 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ F2RL3 Q96RI0 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
SCHEMBL31049388 0.90 MEN1 (0.33) JAK2JAK3HPGDALDH1A1
SCHEMBL31049371 0.83 ALDH1A1 (0.34) RENHPGDALDH1A1
SCHEMBL31049269 0.83 ALDH1A1 (0.35) HPGDFEN1ALDH1A1
SCHEMBL31049293 0.81 ALDH1A1 (0.34) JAK2JAK3HPGDALDH1A1
SCHEMBL31049311 0.77 CNR2 (0.37) JAK2JAK3HPGDMAPK1KDM1A
SCHEMBL3792320 0.70 ALDH1A1 (0.39) JAK2JAK3HPGDMAPK1ALDH1A1
SCHEMBL31049356 0.68 CNR2 (0.47) JAK3HPGDALDH1A1
SCHEMBL31049408 0.67 IP6K1 (0.32) —
SCHEMBL1139688 0.65 ALDH1A1 (0.41) HPGDMAPK1FEN1ALDH1A1
SCHEMBL27077566 0.63 ALDH1A1 (0.37) HPGDMAPK1FEN1ALDH1A1

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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