SCHEMBL9435700

SCHEMBL9435700

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 6/20 0.62
KMT2A Q03164 5/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 1/20 0.61

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
SCHEMBL14574134 0.98 GAA (0.97) GAAALDH1A1RAB9AKMT2ANPC1
SCHEMBL28813844 0.92 GAA (0.85) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL14574146 0.85 GAA (0.74) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL2386321 0.85 GAA (0.74) GAAALDH1A1RAB9AKMT2ANPC1
SCHEMBL7258861 0.85 GAA (0.74) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL14574164 0.81 MEN1 (0.76) GAAALDH1A1RAB9AKMT2ANPC1
SCHEMBL14413881 0.81 GAA (0.67) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL434046 0.81 RAB9A (0.74) GAAALDH1A1RAB9AKMT2ANPC1
SCHEMBL14574149 0.80 GAA (0.67) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL4315881 0.80 LMNA (0.66) GAAALDH1A1RAB9AKMT2ANPC1

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
JP-6345747-A None JP disclosed
JP-H06345747-A 4-NITRO-N-(1'-PIPERIDINOCARBONYL)ANILINE AND NON-LINEAR OPTICAL MATERIAL HITACHI CHEM CO LTD 1994-12-20 JP disclosed