SCHEMBL21022010

SCHEMBL21022010

C=Cc1cc(NC(=C)C2C(c3ccc(C(C)F)cc3)C2(C)Cl)ccc1C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTR1E P28566 1/20 0.30
KMT2A Q03164 1/20 0.30
S1PR3 Q99500 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
SCHEMBL20076458 0.83 MEN1 (0.30) MEN1KMT2A
SCHEMBL20076402 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL20076667 0.73 GSTO1 (0.31) MEN1MAPTKMT2A
SCHEMBL21021326 0.73 MEN1 (0.37) MEN1MAPTKMT2A
SCHEMBL21021871 0.72 MEN1 (0.37) MEN1MAPTKMT2A
SCHEMBL21021520 0.72
SCHEMBL21021609 0.72 MEN1 (0.49) MEN1MAPTKMT2A
SCHEMBL20076442 0.72 MEN1 (0.38) MEN1MAPTKMT2A
SCHEMBL21021323 0.71
SCHEMBL20076450 0.71 ALDH1A1 (0.37) MEN1KMT2A

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed