SCHEMBL20076434

SCHEMBL20076434

C=C(CCC(F)(F)F)c1cc(NC(=C)C2C(c3cc(C)cc(C)c3)C2(C)Cl)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CSF1R P07333 3/20 0.32

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
SCHEMBL20076742 0.78 MEN1 (0.31) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL20076427 0.78 NPC1 (0.38) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL21021313 0.76 MEN1 (0.30) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL21021594 0.75 POLB (0.37) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL21020609 0.74 MEN1 (0.32) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL21021990 0.74 SMN1; SMN2 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21021896 0.74 SLC9A1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL20076454 0.73 MEN1 (0.31) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL21020672 0.73 MEN1 (0.33) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL20076459 0.73 KMT2A (0.37) MEN1ALDH1A1LMNAGAAMAPT

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