SCHEMBL7355696

SCHEMBL7355696

COc1cc([N+](=O)[O-])c(C=O)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 4/20 0.71
MAPT P10636 3/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX15 P16050 1/20 0.71
PRKDC P78527 1/20 0.71
HSD17B10 Q99714 1/20 0.71
PDE5A O76074 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ERN1 O75460 1/20 0.41
PDE4B Q07343 5/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL211200 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2905188 0.82 PDE5A (0.50) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29615940 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL22836132 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2906067 0.81 PDE5A (0.49) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2902648 0.81 PDE5A (0.49) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29615935 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL15264824 0.79 KMT2A (0.45) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL20631457 0.78 PDE5A (0.52) KDM4ECYP3A4PDE5APOLBPDE4B
SCHEMBL22065381 0.78 PDE5A (0.52) KDM4EMAPTCYP3A4PDE5APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed