SCHEMBL20076726

SCHEMBL20076726

C=C(Nc1ccc(F)cc1N)c1cc(NC(=C)C2C(c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.37
HDAC3 O15379 7/20 0.34
NCOR2 Q9Y618 6/20 0.34
HDAC2 Q92769 4/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
NCOR1 O75376 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SLC2A1 P11166 1/20 0.30
PYGL P06737 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
SCHEMBL21022171 0.81 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2MEN1
SCHEMBL18146953 0.81 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2MEN1
SCHEMBL20050909 0.81 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2MEN1
SCHEMBL18146701 0.77 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2MEN1
SCHEMBL21022066 0.76 MEN1 (0.46) MEN1LMNAKMT2AMAPTHTT
SCHEMBL21021436 0.76 HTT (0.37) MEN1LMNAKMT2AMAPTHTT
SCHEMBL20076765 0.76 TAS1R3 (0.33) MEN1LMNAKMT2AMAPTHTT
SCHEMBL21021274 0.75 HTT (0.36) MEN1LMNAKMT2AHTT
SCHEMBL21022022 0.75 MEN1 (0.32) MEN1LMNAKMT2A
SCHEMBL21021212 0.74 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2MEN1

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