SCHEMBL7977166

SCHEMBL7977166

O=C(COCCCc1c[nH]cn1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
AGTR1 P30556 2/20 0.46
ALDH1A1 P00352 8/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL4381005 0.82 SMN1; SMN2 (0.42) KMT2AMAPTNPC1RAB9A
SCHEMBL4381409 0.80 CHRNB2 (0.52) ALDH1A1MAPTHPGDRAB9A
SCHEMBL7961200 0.77 EPHX2 (0.52) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL9038302 0.75 TP53 (0.51) KMT2AAGTR1ALDH1A1HTTMEN1
SCHEMBL8120852 0.75 ALDH1A1 (0.39) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL7974153 0.74 CHRNB2 (0.53) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL5016737 0.72 ALDH1A1 (0.58) KMT2AAGTR1ALDH1A1HTTMEN1
SCHEMBL4383633 0.71 KMT2A (0.45) KMT2A
Hydrochloric Acid SCHEMBL9459758 0.70 CYP4F2 (0.37) AGTR1
SCHEMBL27581016 0.70 KMT2A (0.58) KMT2AAGTR1ALDH1A1HTTMEN1

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed