SCHEMBL5774586

SCHEMBL5774586

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
VCAM1 P19320 6/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHFR P00374 1/20 0.37
KAT2B Q92831 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5777119 0.80 ITGB1 (0.38) MAPTITGB1ITGA4ITGB7
SCHEMBL5773450 0.79 LIPG (0.44) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL8569064 0.70 ALDH1A1 (0.53) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL5992360 0.70 VCAM1 (0.60) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL5777107 0.70 CYP3A4 (0.37) MAPTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL28937872 0.68 ADORA1 (0.45) NCOA1NCOA3MAPTMEN1ALDH1A1
SCHEMBL2461199 0.68 VCAM1 (0.58) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL8177447 0.68 AKR1B1 (0.37) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8172959 0.68 L3MBTL1 (0.42) NCOA1NCOA3MAPTMEN1ALDH1A1
SCHEMBL17494865 0.67 LMNA (0.42) MAPTMEN1ALDH1A1KMT2AL3MBTL1

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