SCHEMBL13068290

SCHEMBL13068290

CCCc1nc(-c2ccc(N)cc2)cnc1NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
MAPK1 P28482 2/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
PIK3CA P42336 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATR Q13535 1/20 0.39
NPC1 O15118 1/20 0.39
FFAR2 O15552 1/20 0.38
CTRC Q99895 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TP53 P04637 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ACVR1 Q04771 1/20 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
SCHEMBL12838584 0.92 RORC (0.45) RORCMAPK1MAPK8MAPK9PIK3CA
SCHEMBL12839102 0.91 RORC (0.44) RORCMAPK1MAPK8MAPK9PIK3CA
SCHEMBL12839056 0.91 MAPK1 (0.41) MAPK1MAPK8MAPK9PIK3CAMAPK10
SCHEMBL12839069 0.90 KMT2A (0.46) MAPK1MAPK8MAPK9PIK3CAMAPK10
SCHEMBL12839058 0.90 MAPK1 (0.41) MAPK1MAPK8MAPK9PIK3CAMAPK10
SCHEMBL12839070 0.90 MAPK1 (0.41) MAPK1MAPK8MAPK9PIK3CAMAPK10
SCHEMBL12840474 0.90 KMT2A (0.46) RORCMAPK1KMT2ARAB9AMEN1
SCHEMBL12840376 0.90 KMT2A (0.46) RORCKMT2ARAB9AMEN1ALDH1A1
SCHEMBL13068291 0.90 TMIGD3 (0.43) MAPK1MAPK8MAPK9PIK3CAMAPK10
SCHEMBL12840496 0.88 KMT2A (0.46) KMT2ARAB9AMEN1ALDH1A1ATR

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-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP disclosed