SCHEMBL7650195

SCHEMBL7650195

O=C(COCc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.44
GBA1 P04062 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
NAMPT P43490 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL7650201 0.88 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7647178 0.86 KMT2A (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL30963302 0.80 PTGES (0.52) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL7647775 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28494477 0.78 ATM (0.56) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL7146343 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7647179 0.77 PTPRC (0.55) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7646959 0.76 MEN1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL839348 0.75 NAMPT (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7152143 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNASMN1; 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