SCHEMBL4679105

SCHEMBL4679105

COc1ccc(Cn2ccc(C)c(N)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
TP53 P04637 3/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CMA1 P23946 1/20 0.49
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
LCK P06239 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HDAC8 Q9BY41 4/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 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
SCHEMBL4679158 0.86 F2R (0.47) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4683798 0.85 P2RX3 (0.44) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4682997 0.84 MAPT (0.66) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4678802 0.84 MAPT (0.53) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4678971 0.83 MAPT (0.64) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4682507 0.83 GRM2 (0.46) MAPTTP53LMNAALDH1A1
SCHEMBL4683797 0.83 MAPT (0.50) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4682745 0.83 MAPT (0.53) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4683703 0.82 DBH (0.52) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4685054 0.81 MAPK14 (0.52) MAPTTP53MEN1KMT2AKDM4E

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 7 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
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