SCHEMBL29431663

SCHEMBL29431663

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)cnc2s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ILK Q13418 1/20 0.31
S1PR1 P21453 1/20 0.31
PKM P14618 1/20 0.30
DDR1 Q08345 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
SCHEMBL14684606 1.00 POLB (0.34) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15868289 0.93 POLB (0.32) POLBGAASMN1; SMN2
SCHEMBL17609407 0.92 GAA (0.31) GAA
SCHEMBL17986787 0.88 POLB (0.32) POLB
SCHEMBL14684625 0.88 NPC1 (0.33) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL10280995 0.85 ILK (0.38) POLBKDM4EALDH1A1ILKS1PR1
SCHEMBL25887528 0.84 DGAT1 (0.34) S1PR1
SCHEMBL30989731 0.84 DGAT1 (0.34) S1PR1
SCHEMBL10280795 0.82 ALOX5AP (0.39) POLBALDH1A1SMN1; SMN2ILKS1PR1
SCHEMBL11895332 0.81 POLB (0.33) POLBILKS1PR1

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
CN-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 CN disclosed