SCHEMBL4683703

SCHEMBL4683703

COc1ccc(Cn2ccc(C)c(N)c2=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DBH P09172 3/20 0.52
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 8/20 0.45
THRB P10828 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.43
TP53 P04637 5/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 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
SCHEMBL8119679 0.88 MAPT (0.43) DBHCRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL4679105 0.82 MAPT (0.56) MAPTLMNATP53ALDH1A1KMT2A
SCHEMBL4678971 0.80 MAPT (0.64) SMN1; SMN2MAPTLMNATP53ALDH1A1
SCHEMBL4682997 0.78 MAPT (0.66) SMN1; SMN2MAPTTHRBGAALMNA
SCHEMBL4682745 0.77 MAPT (0.53) MAPTTHRBGAALMNATP53
SCHEMBL4683797 0.77 MAPT (0.50) MAPTTHRBLMNATP53ALDH1A1
SCHEMBL4685736 0.77 LMNA (0.60) DBHMAPTGAALMNAALDH1A1
SCHEMBL4685054 0.75 MAPK14 (0.52) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL4679158 0.74 F2R (0.47) SMN1; SMN2MAPTLMNATP53ALDH1A1
SCHEMBL4683045 0.73 MAPT (0.46) MAPTTHRBTP53KMT2AMEN1

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