SCHEMBL20076420

SCHEMBL20076420

C=C(c1ccc(C(C)(F)F)cc1)c1cc(NC(=C)C2C(c3cc(C)cc(C)c3)C2(C)Cl)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.34
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
BTK Q06187 1/20 0.30
HDAC3 O15379 1/20 0.30
RXRA P19793 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL21021594 0.78 POLB (0.37)
SCHEMBL20076458 0.74 MEN1 (0.30)
SCHEMBL20076771 0.73
SCHEMBL20076663 0.73
SCHEMBL20076434 0.73 MEN1 (0.32)
SCHEMBL20076548 0.73 POLB (0.34)
SCHEMBL21021893 0.73
SCHEMBL21021347 0.72
SCHEMBL21021121 0.72 MEN1 (0.48)
SCHEMBL21020693 0.72 HTT (0.32)

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed