SCHEMBL9130852

SCHEMBL9130852

C=Cc1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
HSPB1 P04792 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
HIF1A Q16665 1/20 0.40
PTGS2 P35354 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.38
MMP2 P08253 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL9132865 0.85 MAPT (0.50) ALDH1A1PTPRCS100A4PTGS2POLB
SCHEMBL376864 0.77 ALDH1A1 (0.52) HSPB1ALDH1A1PTPRCS100A4HIF1A
SCHEMBL7660341 0.76 ALDH1A1 (0.55) GCGRMAPK14HSPB1ALDH1A1PTPRC
SCHEMBL6201706 0.76 HSPB1 (0.46) GCGRMAPK14HSPB1ALDH1A1PTPRC
SCHEMBL6201702 0.75 TXNRD1 (0.53) GCGRMAPK14HSPB1ALDH1A1PTPRC
SCHEMBL27413429 0.74 HTR7 (0.46) ALDH1A1PTPRCS100A4POLBMEN1
SCHEMBL4647893 0.74 ALDH1A1 (0.56) HSPB1ALDH1A1PTPRCS100A4HIF1A
SCHEMBL30648783 0.74 ALDH1A1 (0.56) HSPB1ALDH1A1PTPRCS100A4HIF1A
SCHEMBL8464338 0.73 PTPRC (0.52) ALDH1A1PTPRCS100A4MEN1KMT2A
SCHEMBL16013792 0.73 HSD17B10 (0.55) GCGRMAPK14HSPB1ALDH1A1PTPRC

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-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US disclosed