SCHEMBL31049293

SCHEMBL31049293

Oc1cccc2c(F)c(CCCCn3cc(Br)cn3)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ AR P10275 1/20 0.34
▸ HPGD P15428 1/20 0.32
▸ JAK2 O60674 5/20 0.31
▸ HDAC1 Q13547 5/20 0.31
▸ HDAC6 Q9UBN7 5/20 0.31
▸ PLAU P00749 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL31049269 0.89 ALDH1A1 (0.35) ALDH1A1HPGDPLAUELANEGAA
SCHEMBL31049371 0.87 ALDH1A1 (0.34) ALDH1A1HPGDHDAC1HDAC6PLAU
SCHEMBL31049388 0.84 MEN1 (0.33) ALDH1A1HPGDJAK2HDAC1HDAC6
SCHEMBL31049273 0.81 REN (0.33) ALDH1A1HPGDJAK2JAK3
SCHEMBL31049571 0.73 ALDH1A1 (0.36) ALDH1A1HPGDPLAUELANEGAA
SCHEMBL31049408 0.72 IP6K1 (0.32) —
SCHEMBL31049362 0.67 — —
SCHEMBL31049393 0.66 ICMT (0.41) ALDH1A1HPGDPLAUELANEGAA
SCHEMBL31049268 0.64 ALDH1A1 (0.36) ALDH1A1HPGDPLAUELANEGAA
SCHEMBL31049315 0.62 ALDH1A1 (0.42) ALDH1A1HPGDPLAUELANEGAA

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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