SCHEMBL11523170

SCHEMBL11523170

Cc1cc(C(=O)O)ccc1N=Nc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 2/20 0.53
CD69 Q07108 1/20 0.50
TDP1 Q9NUW8 3/20 0.46
GRM1 Q13255 2/20 0.46
CYP1A2 P05177 1/20 0.46
RPS6KA3 P51812 1/20 0.46
GLO1 Q04760 1/20 0.46
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MYC P01106 1/20 0.44

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
SCHEMBL27876820 0.89 MAPT (0.53) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL8513909 0.87 MAPT (0.50) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL8513912 0.87 MAPT (0.50) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL21242740 0.85 TRPA1 (0.41) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL21466066 0.85 ALDH1A1 (0.45) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL13758628 0.81 PHLPP2 (0.58) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL29465675 0.81 TRPA1 (0.58) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL15448278 0.80 TRPA1 (0.53) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL70162 0.79 TRPA1 (0.86) TRPA1KMT2AMEN1NPC1POLB
SCHEMBL31702246 0.79 TRPA1 (0.86) TRPA1KMT2AMEN1NPC1POLB

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-4141911-A REACTING DICARBOXYLIC ACID WITH MONOBASIC CHROMIC SALT, SURFACTANTS TOKYO SHIBAURA ELECTRIC CO., LTD. (JP) 1979-02-27 US disclosed