SCHEMBL5773450

SCHEMBL5773450

Cn1c(C(F)(F)F)cc(Cl)c(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
HTT P42858 4/20 0.42
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
PSD A5PKW4 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLP1R P43220 1/20 0.38
RAB9A P51151 1/20 0.38
COMT P21964 1/20 0.38
TP53 P04637 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
SCHEMBL5776146 0.87 LIPG (0.43) LIPGITGB1ITGA4ITGB7HTT
SCHEMBL5777119 0.83 ITGB1 (0.38) LIPGITGB1ITGA4ITGB7COMT
SCHEMBL5774586 0.79 NCOA1 (0.41) ITGB1ITGA4ITGB7HTTLMNA
SCHEMBL5775226 0.79 HTT (0.42) LIPGHTTKCNQ3KCNQ2PSD
SCHEMBL8993528 0.67 SMN1; SMN2 (0.44) LIPGHTTSMN1; SMN2LMNAMAPT
SCHEMBL5775116 0.66 HSD11B1 (0.47) LIPGSMN1; SMN2LMNANPC1CYP2C9
SCHEMBL7543853 0.66 KDM4E (0.44) HTTSMN1; SMN2LMNATP53MAPT
SCHEMBL10697441 0.66 LIPG (0.33) LIPGHTTKCNQ3KCNQ2SMN1; SMN2
SCHEMBL8190802 0.65 HSD11B1 (0.44) COMTKDM4EGAAALDH1A1HPGD
SCHEMBL8993633 0.64 MEN1 (0.39) HTTKCNQ3KCNQ2PSDSMN1; SMN2

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