SCHEMBL8855451

SCHEMBL8855451

O=[N+]([O-])c1cc2nc(C(F)(F)F)[nH]c2cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PARP1 P09874 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CACNA1H O95180 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8855455 0.94 MAPT (0.51) KDM4EMAPTHPGDPOLBCA12
SCHEMBL4103751 0.85 KDM4E (0.51) KDM4EMAPTHPGDPOLBGAA
SCHEMBL8855594 0.84 MAPT (0.50) KDM4EMAPTHPGDPOLBCA12
SCHEMBL8855590 0.81 MAPT (0.50) KDM4EMAPTHPGDPOLBGAA
SCHEMBL11875538 0.81 LMNA (0.44) KDM4EPOLBCA12CA9GAA
SCHEMBL30806283 0.77 ALDH1A1 (0.52) MAPTHPGDPOLBCA12CA9
SCHEMBL11875522 0.75 LMNA (0.44) KDM4EPOLBCA12CA9GAA
SCHEMBL7617288 0.75 SMN1; SMN2 (0.74) KDM4EMAPTHPGDPOLBSMN1; SMN2
SCHEMBL5423878 0.75 ALDH1A1 (0.57) KDM4EMAPTHPGDPOLBSMN1; SMN2
SCHEMBL29382304 0.75 SMN1; SMN2 (0.74) KDM4EMAPTHPGDPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed