SCHEMBL31324405

SCHEMBL31324405

CC(C)(O)C1CCN(c2cc3[nH]ncc3cc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 9/20 0.38
▸ CTPS1 P17812 1/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GPR174 Q9BXC1 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL16741400 0.82 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16899042 0.82 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16899214 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16751169 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTNOS1LMNA
SCHEMBL16751155 0.81 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTNOS1LMNA
SCHEMBL16898912 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNACYP3A4
SCHEMBL16899119 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNACYP3A4
SCHEMBL16899103 0.80 POLB (0.42) MEN1KMT2AMAPTCYP3A4POLB
SCHEMBL16899220 0.79 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18889899 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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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