SCHEMBL7976506

SCHEMBL7976506

COC(=O)C(F)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
VCAM1 P19320 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM4 Q14833 1/20 0.43
RECQL P46063 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7965004 0.86 GRM8 (0.48) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA
SCHEMBL14797548 0.86 SMN1; SMN2 (0.50) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA
SCHEMBL7976616 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL7976515 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7975219 0.84 SMN1; SMN2 (0.46) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA
SCHEMBL2432560 0.83 GPR35 (0.45) SMN1; SMN2VCAM1ALDH1A1HIF1ALMNA
SCHEMBL7981057 0.82 GRM8 (0.52) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA
SCHEMBL4507232 0.80 CES2 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL18111369 0.80 SMN1; SMN2 (0.59) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA
SCHEMBL7383304 0.77 ALDH1A1 (0.51) SMN1; SMN2VCAM1ALDH1A1HIF1AGAA

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-2001055138-A1 AZOLE DERIVATIVES, THEIR PREPARATION AND USE SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed