SCHEMBL4683797

SCHEMBL4683797

CCc1ccc(Cn2ccc(C)c(N)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 3/20 0.43
MGLL Q99685 1/20 0.42
F2R P25116 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPK14 Q16539 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 2/20 0.38

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
SCHEMBL4682997 0.89 MAPT (0.66) MAPTTP53POLBMAPK14MEN1
SCHEMBL4682745 0.87 MAPT (0.53) MAPTTP53POLBMAPK14MEN1
SCHEMBL4685054 0.85 MAPK14 (0.52) MAPTTP53POLBMAPK14MEN1
SCHEMBL4679158 0.84 F2R (0.47) MAPTTP53POLBF2RMAPK14
SCHEMBL4679105 0.83 MAPT (0.56) MAPTTP53HDAC3HDAC4HDAC1
SCHEMBL4683045 0.83 MAPT (0.46) MAPTTP53POLBF2RMEN1
SCHEMBL4682507 0.82 GRM2 (0.46) MAPTTP53ALDH1A1LMNA
SCHEMBL4683798 0.80 P2RX3 (0.44) MAPTTP53POLBMAPK14MEN1
SCHEMBL4679285 0.77 TP53 (0.39) MAPTTP53POLBMAPK14MEN1
SCHEMBL4683703 0.77 DBH (0.52) MAPTTP53POLBMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed