SCHEMBL16037693

SCHEMBL16037693

O=Cc1cccc(-c2cccnc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
CYP2A6 P11509 3/20 0.44
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA5 P30532 2/20 0.40
CHRNA4 P43681 2/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL28126119 0.82 ALDH1A1 (0.50) ERN1RAB9AALDH1A1
SCHEMBL11385857 0.81 GPR35 (0.49) ERN1CYP2A6MAPK1PTGS2CYP3A4
SCHEMBL6609445 0.79 ALDH1A1 (0.53) CYP2A6MAPK1PTGS2CYP3A4CYP2E1
SCHEMBL894805 0.78 ERN1 (0.57) ERN1CYP2A6PTGS2CYP3A4CYP2E1
SCHEMBL2802295 0.76 PTGS2 (0.46) CYP2A6MAPK1PTGS2CYP3A4CHRNB2
SCHEMBL11071868 0.76 ERN1 (0.51) ERN1CYP2A6PTGS2CYP3A4CYP2E1
SCHEMBL19737558 0.76 RAB9A (0.42) ERN1CYP2A6RAB9ACYP19A1ALDH1A1
SCHEMBL10478254 0.75 TSHR (0.44) ERN1MAPK1CYP2C9RAB9AALDH1A1
SCHEMBL28918738 0.75 ERN1 (0.49) ERN1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL7101000 0.75 ERN1 (0.54) ERN1CYP2A6PTGS2CYP3A4CYP2E1

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-9399697-B2 Hardeners for epoxy resins, which comprise aromatic amino groups SIKA TECHNOLOGY AG (CH) 2016-07-26 US disclosed
US-20140275446-A1 HARDENERS FOR EPOXY RESINS, WHICH COMPRISE AROMATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2014-09-18 US disclosed