SCHEMBL9687736

SCHEMBL9687736

COC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 11/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
PKM P14618 1/20 0.55
HTT P42858 2/20 0.54
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
STAT3 P40763 1/20 0.52
MAPK1 P28482 1/20 0.51
SERPINE1 P05121 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL9687209 0.85 MAPT (0.53) SMN1; SMN2MAPTKMT2AMEN1PKM
SCHEMBL2879386 0.84 MAPT (0.60) MAPTKMT2AMEN1PKMHTT
SCHEMBL5361493 0.83 MAPT (0.70) SMN1; SMN2MAPTTHRBKMT2AMEN1
SCHEMBL13331971 0.81 GAA (0.55) SMN1; SMN2MAPTTHRBKMT2AMEN1
SCHEMBL7335661 0.81 MAPT (0.63) SMN1; SMN2MAPTKMT2AMEN1PKM
SCHEMBL13528776 0.81 MAPT (0.65) SMN1; SMN2MAPTKMT2AMEN1PKM
SCHEMBL16713330 0.81 MAPT (0.56) SMN1; SMN2MAPTKMT2AMEN1PKM
SCHEMBL12004226 0.81 MAPT (0.56) MAPTKMT2AMEN1PKMLMNA
SCHEMBL4537985 0.81 MAPT (0.62) MAPTKMT2AMEN1PKMLMNA
SCHEMBL7170328 0.81 MAPT (0.57) SMN1; SMN2MAPTTHRBKMT2AMEN1

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-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed