SCHEMBL20076622

SCHEMBL20076622

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.35
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20076750 0.81 SLC9A1 (0.35) SLC9A1HPGD
SCHEMBL20076781 0.80 TMPRSS4 (0.34) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL20076828 0.78 SLC9A1 (0.37) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL20076798 0.71 SLC9A1 (0.41) SLC9A1
SCHEMBL21022124 0.70 SLC9A1 (0.36) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL20076408 0.69 SLC9A1 (0.36) SLC9A1
SCHEMBL20076501 0.69 MAPT (0.33) SLC9A1
SCHEMBL21021227 0.67 MAPT (0.35) SLC9A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20076729 0.67 SLC9A1 (0.44) SLC9A1
SCHEMBL21021915 0.67 MEN1 (0.42) NPC1RAB9ASMN1; SMN2

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