SCHEMBL15971908

SCHEMBL15971908

Cc1cc(C#N)cc2c(=O)oc(-c3cc(C(F)F)nn3-c3ncccc3Cl)nc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.32
▸ LIMK2 P53671 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL15971433 0.90 LIMK1 (0.34) LIMK1LIMK2DHODHCYP17A1CYP1A2
SCHEMBL31060049 0.89 LIMK1 (0.33) LIMK1LIMK2DHODHCYP17A1CYP1A2
SCHEMBL958594 0.89 DHODH (0.33) DHODHCYP17A1CYP1A2
SCHEMBL25281220 0.87 MAPT (0.34) LIMK1LIMK2DHODHCYP17A1CYP1A2
SCHEMBL30466611 0.87 MAPT (0.34) LIMK1LIMK2DHODHCYP17A1CYP1A2
SCHEMBL31059998 0.87 DHODH (0.33) DHODHCYP17A1CYP1A2
SCHEMBL29669886 0.87 DHODH (0.41) DHODHCYP17A1CYP1A2
SCHEMBL465751 0.87 DHODH (0.41) DHODHCYP17A1CYP1A2
SCHEMBL959311 0.87 PDPK1 (0.35) PTGS2DHODH
Ammonia Solution, Strong SCHEMBL25281956 0.87 MAPT (0.33) LIMK1LIMK2DHODHCYP17A1CYP1A2

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
WO-2014128136-A1 ANTHRANILAMIDE COMPOUNDS AND THEIR USE AS PESTICIDES BASF SE (DE) 2014-08-28 — — WO disclosed
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