SCHEMBL5777119

SCHEMBL5777119

Cn1c(C(F)(F)F)cc(Cl)c(-c2ccc(Cl)c(N)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
ITGB7 P26010 3/20 0.38
COMT P21964 1/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PTPN11 Q06124 4/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
LCK P06239 2/20 0.31
KIT P10721 2/20 0.31
SRC P12931 2/20 0.31
WEE1 P30291 1/20 0.31
BRD4 O60885 1/20 0.31
NOTUM Q6P988 1/20 0.31
KDR P35968 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL5773450 0.83 LIPG (0.44) ITGB1ITGA4ITGB7COMTLIPG
SCHEMBL5774586 0.80 NCOA1 (0.41) ITGB1ITGA4ITGB7MAPT
SCHEMBL5776146 0.70 LIPG (0.43) ITGB1ITGA4ITGB7LIPGTP53
SCHEMBL7833205 0.69 MEN1 (0.41) COMTTP53MAPTTSHRNOTUM
SCHEMBL5773816 0.67 BRD4 (0.39) COMTPDE3BPDE3ASRCBRD4
SCHEMBL17494888 0.66 RAB9A (0.44)
SCHEMBL30839800 0.64 TSHR (0.62) TP53MAPTTSHR
SCHEMBL31607615 0.64 TSHR (0.62) TP53MAPTTSHR
SCHEMBL9972528 0.64 TSHR (0.62) TP53MAPTTSHR
SCHEMBL3610881 0.63 TGFBR1 (0.69)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed