SCHEMBL28045110

SCHEMBL28045110

Cc1ccc(N)cc1N=Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 4/20 0.50
TRPA1 O75762 1/20 0.50
KMT2A Q03164 5/20 0.47
POLB P06746 4/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ATM Q13315 1/20 0.47
CD69 Q07108 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
BLM P54132 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL8513909 0.88 MAPT (0.50) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL8513912 0.88 MAPT (0.50) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL15448278 0.84 TRPA1 (0.53) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL13758628 0.82 PHLPP2 (0.58) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL18821870 0.80 TRPA1 (0.69) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL3994565 0.80 TRPA1 (0.69) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL3994559 0.80 TRPA1 (0.69) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL12791497 0.79 TRPA1 (0.47) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL731614 0.79 TRPA1 (0.50) MAPTNPC1RAB9ATRPA1KMT2A
SCHEMBL30530980 0.79 TRPA1 (0.50) MAPTNPC1RAB9ATRPA1KMT2A

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
CN-103228738-B Azoic dyestuff KEMIRA OY (FI) 2016-01-27 CN disclosed