SCHEMBL2394770

SCHEMBL2394770

O=C(O)Oc1cccc2nc(C(F)(F)C(F)(F)F)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.37
PKM P14618 1/20 0.35
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GNRHR P30968 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL2399386 0.89 PKM (0.47) ELANEPKMCDK9DYRK1AKDM4E
SCHEMBL2394762 0.79 KDM4E (0.47) ELANEPKMKDM4EHPGDSMN1; SMN2
SCHEMBL2397310 0.75 KDM4E (0.42) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL9677048 0.68 NPSR1 (0.49) PKMKDM4EHPGDNPSR1ALDH1A1
SCHEMBL6957142 0.68 NPSR1 (0.49) ELANEPKMCDK9DYRK1AKDM4E
SCHEMBL15515380 0.68 ELANE (0.40) ELANEKDM4ELMNAL3MBTL1
SCHEMBL24020336 0.67 KDM4E (0.40) PKMKDM4ENPSR1
SCHEMBL2399383 0.67 KDM4E (0.60) PKMKDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL24020341 0.67 KDM4E (0.41) CDK9DYRK1AKDM4ENPSR1
SCHEMBL10626672 0.66 NPSR1 (0.46) PKMKDM4EHPGDNPSR1GNRHR

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