SCHEMBL20120093

SCHEMBL20120093

Cc1cc(O)ccc1NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYTH2 Q99418 1/20 0.49
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
TNIK Q9UKE5 5/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL7644039 0.83 GAA (0.61) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL880823 0.81 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL30525199 0.78 RAPGEF4 (0.56) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL11406554 0.78 RAPGEF4 (0.56) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL20612556 0.76 CYP3A4 (0.71) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL7003942 0.76 RAPGEF4 (0.64) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL4830911 0.76 MAPT (0.49) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL30991860 0.76 CYP3A4 (0.71) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL6757211 0.75 CXCR1 (0.43) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL11421284 0.74 ALDH1A1 (0.44) KDM4EALDH1A1LMNAMAPTMEN1

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
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed