SCHEMBL31324317

SCHEMBL31324317

O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ NOS1 P29475 2/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL16751169 0.88 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16751155 0.88 MAPT (0.51) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16899119 0.87 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16898912 0.87 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31324343 0.85 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL17373901 0.82 MAPT (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16741400 0.80 MEN1 (0.43) MAPTALDH1A1CYP3A4NPSR1SMN1; SMN2
SCHEMBL16899042 0.80 SMN1; SMN2 (0.42) MAPTALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL16899169 0.80 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL31324405 0.78 MEN1 (0.41) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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-4737451-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Dong Wha Pharm. Co., Ltd. (KR) 2026-05-06 — — EP disclosed
WO-2025003988-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
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