SCHEMBL9056065

SCHEMBL9056065

Cc1ccc(-c2cccc(C(F)(F)F)c2)c(Nc2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
SMN1; SMN2 Q16637 10/20 0.56
LMNA P02545 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
PIK3CG P48736 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
SCD O00767 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
USP8 P40818 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL9055922 0.77 KDM4E (0.41) SMN1; SMN2PIK3CGMAPTHPGDKDM4E
SCHEMBL31171044 0.73 NPC1 (0.75) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL12749634 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL4846271 0.72 PIK3CG (0.62) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL27644919 0.71 RAB9A (0.61) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL18236257 0.69 RAB9A (0.70) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL4843137 0.69 PIK3CG (0.76) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL5058200 0.68 AKR1C3 (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL25916384 0.67 MAPT (0.57) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL3278505 0.67 NPC1 (0.77) NPC1RAB9ASMN1; SMN2LMNANFKB1

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-1996006089-A1 SUBSTITUTED BIPHENYL DERIVATIVES AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-02-29 WO disclosed