SCHEMBL11551985

SCHEMBL11551985

O=C(NC(=O)c1cccnc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
NAMPT P43490 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 4/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 1/20 0.55
MITF O75030 1/20 0.55

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
SCHEMBL25277062 0.89 ALDH1A1 (0.79) ALDH1A1NAMPTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL5215933 0.85 ALDH1A1 (0.73) ALDH1A1NAMPTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL8373850 0.82 KMT2A (0.75) ALDH1A1NAMPTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL10761136 0.82 ROCK2 (0.77) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28276093 0.82 NPC1 (0.70) ALDH1A1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL28871814 0.82 ALDH1A1 (0.75) ALDH1A1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL31006484 0.82 ALDH1A1 (0.75) ALDH1A1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL11554887 0.78 KMT2A (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11558352 0.78 RAB9A (0.71) ALDH1A1SMN1; SMN2KMT2APOLBRAB9A
Niacinamide SCHEMBL29118199 0.78 ALDH1A1 (0.62) ALDH1A1NAMPTCYP11B1CYP11B2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148902-A N-[(optionally substituted phenylamino)carbonyl] pyridine carboxamides and insecticidal use thereof THE DOW CHEMICAL COMPANY (US) 1979-04-10 US claimed