SCHEMBL7239127

SCHEMBL7239127

O=C(Nc1nc(C(F)(F)F)c(Cl)s1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
GCK P35557 1/20 0.54
NPC1 O15118 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TP53 P04637 1/20 0.50
STAT3 P40763 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47

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
SCHEMBL6245913 0.81 KCNQ3 (0.56) MEN1KMT2AMAPTKDM4EKCNK3
SCHEMBL6679100 0.77 KMT2A (0.53) MEN1KMT2ASTAT3MAPTALDH1A1
SCHEMBL4920234 0.74 SCD (0.73) NPC1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL7240089 0.74 P2RX1 (0.53) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL5301075 0.73 CCR2 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14807678 0.73 MEN1 (0.54) GRM5GCKNPC1MEN1KMT2A
SCHEMBL7247155 0.73 RIPK1 (0.40) GRM5GCKNPC1MEN1KMT2A
SCHEMBL4200739 0.72 MEN1 (0.69) GRM5GCKNPC1MEN1KMT2A
SCHEMBL6679281 0.72 TAS1R3 (0.50) NPC1MEN1KMT2ASTAT3MAPT
SCHEMBL2753600 0.72 ADORA2A (0.61) GRM5GCKNPC1MEN1KMT2A

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
US-6617341-B1 Insecticidal and acaricidal activity, used in in agriculture and horticulture NIPPON SODA CO. LTD. (JP) 2003-09-09 US disclosed