SCHEMBL31049269

SCHEMBL31049269

Fc1c(CCCCn2cc(Br)cn2)[nH]c2c(F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ PLAU P00749 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL31049293 0.89 ALDH1A1 (0.34) ALDH1A1PLAUELANEGAAHTT
SCHEMBL31049371 0.89 ALDH1A1 (0.34) ALDH1A1PLAUELANEGAAHPGD
SCHEMBL31049388 0.86 MEN1 (0.33) ALDH1A1GAAHTTHPGD
SCHEMBL31049273 0.83 REN (0.33) ALDH1A1HPGDFEN1
SCHEMBL31049408 0.78 IP6K1 (0.32) —
SCHEMBL31049362 0.73 — —
SCHEMBL31049393 0.72 ICMT (0.41) ALDH1A1PLAUELANEGAAHTT
SCHEMBL31049268 0.68 ALDH1A1 (0.36) ALDH1A1PLAUELANEGAAHTT
SCHEMBL31049571 0.68 ALDH1A1 (0.36) ALDH1A1PLAUELANEGAAHTT
SCHEMBL17406960 0.64 ALDH1A1 (0.40) ALDH1A1GAAHTTRAB9AHPGD

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