SCHEMBL2397307

SCHEMBL2397307

Cn1c(C(F)(F)C(F)(F)F)nc2cccc(C(=O)O)c21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.54
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ACSS2 Q9NR19 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL6866628 0.72 DHODH (0.54) DHODHLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL29281090 0.71 DHODH (0.57) DHODHLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL505544 0.70 DHODH (1.00) DHODHALDH1A1KDM4EHSD17B10
SCHEMBL17896671 0.67 DHODH (0.64) DHODHLMNAALDH1A1KDM4E
SCHEMBL29308340 0.67 DHODH (0.51) DHODHALDH1A1MAPTKDM4EHPGD
SCHEMBL10175143 0.67 DHODH (0.72) DHODHLMNAALDH1A1MAPTKDM4E
SCHEMBL2394762 0.66 KDM4E (0.47) DHODHALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7425056 0.65 DHODH (0.49) DHODHALDH1A1MAPTKDM4EHPGD
SCHEMBL2013447 0.65 DHODH (0.49) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4457716 0.65 DHODH (0.52) DHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542533-B1 FLUORALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THEIR USE FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER IP GMBH (DE) 2014-09-10 EP disclosed
EP-2542533-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS Bayer Intellectual Property GmbH (DE) 2013-01-09 EP disclosed
WO-2011107504-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed