SCHEMBL9567320

SCHEMBL9567320

CN/C=C1/C(=O)N(c2ccc(F)cc2)N=C1c1cccc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.38
DRD1 P21728 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
APAF1 O14727 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL9567325 1.00 GRM4 (0.38) GRM4DRD1MEN1MAPTKMT2A
SCHEMBL9567332 0.87 KMT2A (0.50) DRD1MEN1MAPTKMT2AALDH1A1
SCHEMBL9567329 0.87 KMT2A (0.50) DRD1MEN1MAPTKMT2AALDH1A1
SCHEMBL9567336 0.78 KMT2A (0.50) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL9567402 0.74 MEN1 (0.44) GRM4DRD1MEN1MAPTKMT2A
SCHEMBL9525634 0.73 MAPT (0.54) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL9525638 0.73 MAPT (0.54) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL9818011 0.73 KMT2A (0.41) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL9651785 0.67 ALDH1A1 (0.45) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL9651814 0.66 KMT2A (0.71) MEN1MAPTKMT2AALDH1A1GAA

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
EP-0532996-A1 Diarylpyrazolinones BAYER AG (DE) 1993-03-24 EP disclosed