SCHEMBL7650201

SCHEMBL7650201

O=C(COCc1ccccc1)Nc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.57
PTPRC P08575 1/20 0.55
PTPN1 P18031 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.48
NAMPT P43490 1/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7650195 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNAPTPRC
SCHEMBL7647179 0.86 PTPRC (0.55) ALDH1A1MEN1KMT2ALMNAPTPRC
SCHEMBL17653813 0.83 MGLL (0.54) ALDH1A1MEN1KMT2ALMNAPTPN1
SCHEMBL85930 0.81 MAPT (0.49) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20210585 0.81 PTPRC (0.59) ALDH1A1MEN1KMT2ALMNAPTPRC
SCHEMBL25877853 0.80 MEN1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7647777 0.79 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2APTPRCPTPN1
SCHEMBL20218964 0.78 PTPRC (0.59) MEN1KMT2ALMNAPTPRCPTPN1
SCHEMBL2349758 0.78 NAMPT (0.70) ALDH1A1KMT2APTPRCPTPN1SMN1; SMN2
SCHEMBL9666829 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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
US-6482985-B1 2-benzyloxy-5-halo-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed