SCHEMBL11643162

SCHEMBL11643162

CCCCCc1ccccc1OC(=O)n1c(C(F)(F)F)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 5/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 2/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MET P08581 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 4/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8855430 0.79 CYP3A4 (0.43) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL11643098 0.78 MAPT (0.37) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL8855435 0.77 TDP1 (0.44) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL8855520 0.76 MAPT (0.39) MAPTCYP3A4MAPK1LMNACYP1A2
SCHEMBL11645452 0.76 CYP2C9 (0.43) MAPTCYP3A4TDP1LMNAGAA
SCHEMBL11859665 0.76 CYP3A4 (0.43) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL11648114 0.76 MEN1 (0.38) MAPTCYP3A4TDP1LMNAGAA
SCHEMBL8855463 0.73 ESR1 (0.39) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL8855415 0.73 CYP3A4 (0.42) MAPTCYP3A4MAPK1TDP1LMNA
SCHEMBL11644928 0.73 CYP3A4 (0.37) MAPTCYP3A4MAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed