SCHEMBL21291732

SCHEMBL21291732

Cc1ccc(C)c(CNc2cc(Cl)ncc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.52
KDM4C Q9H3R0 1/20 0.45
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDO2 P48775 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP19A1 P11511 1/20 0.40
KAT2B Q92831 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL19739012 0.80 PRKCQ (0.55) PRKCQMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL16793205 0.80 PRKCQ (0.59) PRKCQKDM4CMAPTL3MBTL1TDP1
SCHEMBL16793163 0.78 PRKCQ (0.55) PRKCQMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL15540361 0.77 MAPT (0.58) PRKCQMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL16797143 0.77 MAPT (0.53) PRKCQKDM4CMAPTL3MBTL1TDP1
SCHEMBL29677817 0.77 KAT2B (0.48) PRKCQKDM4CMAPTL3MBTL1TDP1
SCHEMBL15540171 0.77 KAT2B (0.48) PRKCQKDM4CMAPTL3MBTL1TDP1
SCHEMBL3449318 0.76 PGK1 (0.48) MAPTL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL15740633 0.76 MAPT (0.53) PRKCQMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL19742063 0.76 MAPT (0.43) PRKCQMAPTL3MBTL1TDP1ALDH1A1

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-3080126-B1 PURINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-08-28 EP disclosed