SCHEMBL31037299

SCHEMBL31037299

O=C(NCCc1cccnc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.53
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ PRMT3 O60678 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL31037302 0.88 NAMPT (0.51) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037281 0.88 ROCK2 (0.48) NAMPTROCK2ROCK1PRMT3MEN1
SCHEMBL31037447 0.87 ROCK2 (0.49) NAMPTROCK2ROCK1PRMT3MEN1
SCHEMBL31037269 0.87 ROCK2 (0.46) NAMPTROCK2ROCK1PRMT3SMN1; SMN2
SCHEMBL31037325 0.83 ROCK2 (0.46) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037241 0.82 NAMPT (0.46) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037486 0.81 ROCK2 (0.54) NAMPTROCK2ROCK1PRMT3MEN1
SCHEMBL3460951 0.81 NAMPT (0.78) NAMPTROCK2ROCK1CNR1MEN1
SCHEMBL31037328 0.81 NAMPT (0.46) NAMPTPRMT3SMN1; SMN2L3MBTL1
SCHEMBL31037243 0.80 ROCK2 (0.43) NAMPTROCK2ROCK1PRMT3

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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