SCHEMBL31037251

SCHEMBL31037251

O=C(Nc1ccc(-c2ccc3cnccc3c2)c(C#Cc2ccc(F)cc2)c1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.44
▸ IMPDH2 P12268 2/20 0.43
▸ ROCK1 Q13464 3/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ PRMT3 O60678 1/20 0.38

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
SCHEMBL31037287 0.88 NAMPT (0.45) ROCK2NAMPT
SCHEMBL31037327 0.78 PRMT3 (0.55) ROCK2IMPDH2ROCK1NAMPTPRMT3
SCHEMBL1568575 0.77 IMPDH2 (0.68) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL31037249 0.76 ALDH1A1 (0.45) —
SCHEMBL31037353 0.75 PRKCZ (0.44) ROCK2NAMPT
SCHEMBL31037339 0.75 MGLL (0.53) ROCK2IMPDH2NAMPT
SCHEMBL1568741 0.74 IMPDH2 (0.63) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL31744291 0.74 GPR183 (0.40) NAMPT
SCHEMBL31037308 0.73 MAPK14 (0.40) ROCK2NAMPT
SCHEMBL31037248 0.73 AR (0.43) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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