SCHEMBL20076781

SCHEMBL20076781

C=C(Nc1ccc(F)cc1)c1cc(NC(=C)C2C(c3ccc(F)c(Cl)c3)C2(C)C)cc(C(F)(F)F)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.34
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GRIN2B Q13224 1/20 0.30
SLC9A1 P19634 1/20 0.30
IDO1 P14902 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
SCHEMBL20076622 0.80 SLC9A1 (0.35) NPC1RAB9ASMN1; SMN2SLC9A1
SCHEMBL20076408 0.75 SLC9A1 (0.36) MEN1HTTKMT2AMAPTSLC9A1
SCHEMBL21021915 0.73 MEN1 (0.42) MEN1NPC1LMNAHTTRAB9A
SCHEMBL20076750 0.71 SLC9A1 (0.35) MEN1KMT2AMAPTSLC9A1
SCHEMBL23465611 0.71 MEN1 (0.53) MEN1NPC1LMNAHTTRAB9A
SCHEMBL21022250 0.71 BRAF (0.31)
SCHEMBL21079063 0.71 MEN1 (0.44) TMPRSS4MEN1NPC1LMNAHTT
SCHEMBL21021307 0.71 MEN1 (0.42) MEN1NPC1LMNAHTTRAB9A
SCHEMBL23465450 0.70 MEN1 (0.48) MEN1NPC1LMNAHTTRAB9A
SCHEMBL21020721 0.70 SLC9A1 (0.36) MEN1NPC1LMNAHTTRAB9A

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