SCHEMBL4678971

SCHEMBL4678971

COc1cccc(Cn2ccc(C)c(N)c2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
TP53 P04637 3/20 0.64
LMNA P02545 1/20 0.64
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LPO P22079 3/20 0.55
CMA1 P23946 1/20 0.54
IDH1 O75874 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PTGER3 P43115 1/20 0.50
HDAC3 O15379 1/20 0.49

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
SCHEMBL4679105 0.83 MAPT (0.56) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4683703 0.80 DBH (0.52) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4685054 0.80 MAPK14 (0.52) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL8119679 0.77 MAPT (0.43) MAPTTP53LMNAKMT2AALDH1A1
SCHEMBL13678575 0.75 MAPT (0.62) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4200647 0.75 SLC2A1 (0.58) MAPTTP53LMNAMEN1KMT2A
SCHEMBL30364700 0.75 SLC2A1 (0.58) MAPTTP53LMNAMEN1KMT2A
SCHEMBL30218812 0.73 KMT2A (0.63) MAPTTP53LMNAKMT2ALPO
SCHEMBL6087249 0.73 KMT2A (0.63) MAPTTP53LMNAKMT2ALPO
SCHEMBL28817529 0.73 MAPT (0.63) MAPTTP53LMNAMEN1KMT2A

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