SCHEMBL17119010

SCHEMBL17119010

Cc1cc([N+](=O)[O-])ccc1-c1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
TSHR P16473 3/20 0.55
GPR35 Q9HC97 3/20 0.53
CYP3A4 P08684 2/20 0.51
HSP90AA1 P07900 1/20 0.49
HPRT1 P00492 1/20 0.49
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL30683694 0.82 ALDH1A1 (0.72) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL29349558 0.76 ALDH1A1 (0.69) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL2948384 0.76 TSHR (0.69) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL48806 0.76 ALDH1A1 (0.69) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL5958796 0.76 TDP1 (0.65) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL14154089 0.75 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL17482163 0.75 ALDH1A1 (0.45) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL9737090 0.74 ALDH1A1 (0.67) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL9737083 0.74 ALDH1A1 (0.67) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL28300093 0.74 GPR35 (0.58) ALDH1A1TDP1TSHRGPR35CYP3A4

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-9705089-B2 Organic light emitting element CANON KABUSHIKI KAISHA (JP) 2017-07-11 US disclosed
US-20150270493-A1 ORGANIC LIGHT EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-09-24 US disclosed