SCHEMBL11860077

SCHEMBL11860077

CCCOn1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11853403 0.77 CYP3A4 (0.42) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL11684355 0.70 TXNRD1 (0.40) LMNADCTPP1CYP3A4TSHRMAPK1
SCHEMBL8855627 0.70 CYP3A4 (0.43) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL11863501 0.70 CYP3A4 (0.40) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL11643945 0.68 DCTPP1 (0.34) DCTPP1
SCHEMBL11854918 0.67 PLK1 (0.41) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL8855447 0.66 CYP3A4 (0.39) LMNAGAACYP3A4TSHRMAPK1
SCHEMBL8855433 0.65 MAPT (0.40) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL8855527 0.64 CYP3A4 (0.41) LMNAGAADCTPP1CYP3A4TSHR
SCHEMBL11685455 0.63 CREBBP (0.45) LMNADCTPP1TSHRMAPK1TDP1

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-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — US disclosed
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