SCHEMBL11186262

SCHEMBL11186262

O=[N+]([O-])c1cc(C(F)F)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
HPGD P15428 5/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
LMNA P02545 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
BLM P54132 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 1/20 0.35

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
SCHEMBL11642542 0.90 MAPT (0.33) MAPTHPGDCYP3A4TSHRCYP1A2
SCHEMBL11643063 0.90 MAPT (0.33) MAPTHPGDCYP3A4TSHRCYP1A2
SCHEMBL11183105 0.90 MAPT (0.33) MAPTHPGDCYP3A4TSHRCYP1A2
SCHEMBL11647876 0.87 MAPT (0.32) MAPTHPGDCYP3A4TSHRCYP1A2
SCHEMBL11642939 0.82 CYP1A2 (0.38) MAPTHPGDPOLBCYP3A4TSHR
SCHEMBL8855614 0.82 MAPT (0.52) MAPTHPGDKDM4EPOLBCYP3A4
SCHEMBL11644077 0.81 MAPT (0.51) MAPTHPGDKDM4EPOLBCYP3A4
SCHEMBL8855484 0.81 MAPT (0.51) MAPTHPGDKDM4EPOLBCYP3A4
SCHEMBL8855571 0.81 HTT (0.47) MAPTHPGDKDM4EPOLBCYP3A4
SCHEMBL11186264 0.78 MAPT (0.38) MAPTHPGDKDM4EPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US claimed
US-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 US disclosed
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed