SCHEMBL7130826

SCHEMBL7130826

C=CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
GAA P10253 3/20 0.58
MAPT P10636 9/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 4/20 0.55
MAPK1 P28482 2/20 0.53
HTT P42858 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
STAT3 P40763 1/20 0.52

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
SCHEMBL7261922 0.81 GAA (0.66) HCAR3GAAMAPTKMT2AMEN1
SCHEMBL11273856 0.81 MEN1 (0.51) HCAR3GAAMAPTKMT2AMEN1
SCHEMBL29653763 0.81 GAA (0.66) HCAR3GAAMAPTKMT2AMEN1
SCHEMBL1252601 0.80 HCAR3 (0.66) HCAR3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11197746 0.79 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29392652 0.79 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL112411 0.79 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL116088 0.79 GAA (0.70) HCAR3GAAMAPTKMT2AMEN1
SCHEMBL5704002 0.79 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL25057055 0.78 GAA (0.66) GAAMAPTKMT2AMEN1SMN1; 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-6667028-B2 For promoting growth and/or reducing androgenic loss of hair WELLA AKTIENGESELLSCHAFT (DE) 2003-12-23 US disclosed