SCHEMBL31037339

SCHEMBL31037339

O=C(Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ NAMPT P43490 1/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ PTPN1 P18031 1/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ ENPP2 Q13822 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IMPDH2 P12268 1/20 0.41

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 0.85 NAMPT (0.45) POLBNAMPTROCK2ALDH1A1MAPT
SCHEMBL31037311 0.80 NAMPT (0.48) NAMPTROCK2SMN1; SMN2ALDH1A1MAPT
SCHEMBL31037371 0.78 NAMPT (0.48) NAMPTROCK2MAPTNPC1RAB9A
SCHEMBL31037302 0.76 NAMPT (0.51) NAMPTROCK2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL31037251 0.75 ROCK2 (0.44) NAMPTROCK2IMPDH2
SCHEMBL10259763 0.74 POLB (0.83) MGLLPOLBNAMPTROCK2ENPP2
SCHEMBL27815058 0.74 MGLL (0.71) MGLLPOLBROCK2SMN1; SMN2ALDH1A1
SCHEMBL8503966 0.73 POLB (0.67) MGLLPOLBROCK2PTPN1ENPP2
SCHEMBL31037330 0.72 NAMPT (0.77) NAMPTROCK2KMT2A
SCHEMBL31037256 0.72 ALOX15 (0.46) POLBNAMPTSMN1; SMN2ALDH1A1MAPT

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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