SCHEMBL8890163

SCHEMBL8890163

O=C(Nc1nc(C(F)(F)F)cs1)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.58
GCK P35557 3/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL31729501 0.89 SMN1; SMN2 (0.63) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL1968036 0.85 NPC1 (0.62) GRM5MEN1KMT2AALDH1A1ALOX15
SCHEMBL3602131 0.81 GCK (0.58) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL15418753 0.80 ROCK1 (0.47) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL3601891 0.80 GCK (0.57) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL16318533 0.80 GCK (0.52) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL1794917 0.78 GRM5 (0.50) GRM5GCK
SCHEMBL6918768 0.78 GRM5 (0.62) GRM5GCK
SCHEMBL13055750 0.78 NPC1 (0.52) GRM5GCKMEN1KMT2AALDH1A1
SCHEMBL27845355 0.77 NPC1 (0.52) MEN1KMT2AALDH1A1NPC1SMN1; 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-1997003976-A1 SEMICARBAZONE DERIVATIVES AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-06 WO disclosed