SCHEMBL31037287

SCHEMBL31037287

O=C(Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PORCN Q9H237 1/20 0.41
▸ FAAH O00519 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL31037251 0.88 ROCK2 (0.44) NAMPTROCK2
SCHEMBL31037339 0.85 MGLL (0.53) NAMPTROCK2ALDH1A1MAPTPOLB
SCHEMBL31037311 0.82 NAMPT (0.48) NAMPTROCK2ALDH1A1MAPTKDM4E
SCHEMBL31037249 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EFAAHCYP1A2
SCHEMBL31744291 0.79 GPR183 (0.40) NAMPTALDH1A1FAAHCYP1A2KMT2A
SCHEMBL31037307 0.78 NAMPT (0.47) NAMPTKMT2AMEN1
SCHEMBL31037248 0.78 AR (0.43) ALDH1A1MAPTKDM4EFAAHCYP1A2
SCHEMBL31037345 0.76 ROCK2 (0.53) ROCK2ALDH1A1MAPTKDM4EPORCN
SCHEMBL31037347 0.76 ROCK2 (0.53) ROCK2ALDH1A1MAPTKDM4EPORCN
SCHEMBL15140688 0.72 PORCN (0.64) ROCK2ALDH1A1MAPTKDM4EPORCN

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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