SCHEMBL7100895

SCHEMBL7100895

CC(=O)NCC(=O)NC(Cc1ccccc1[N+](=O)[O-])(C(=O)NCC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL998337 0.73 — —
SCHEMBL998336 0.73 — —
SCHEMBL8805015 0.72 MEN1 (0.51) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5724533 0.67 MAOB (0.45) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5550066 0.67 KMT2A (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2061145 0.67 NPC1 (0.54) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6682212 0.66 NQO2 (0.53) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30408678 0.66 NQO2 (0.53) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20511418 0.66 MEN1 (0.62) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28293274 0.65 ALDH1A1 (0.43) CYP2C19POLBALDH1A1MAOBGAA

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-1292608-A2 NOVEL COMPOUNDS OF THE N-ACYLAMINO-AMIDE FAMILY, COMPOSITIONS COMPRISING SAME, AND USES L'OREAL (FR) 2003-03-19 — — EP disclosed
WO-2001094381-A2 NOVEL COMPOUNDS OF THE N-ACYLAMINO-AMIDE FAMILY, COMPOSITIONS COMPRISING SAME, AND USES L'OREAL (FR) 2001-12-13 — — WO disclosed
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