SCHEMBL31398564

SCHEMBL31398564

COC(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.76
HTT P42858 3/20 0.74
PIK3CA P42336 1/20 0.68
PIK3CB P42338 1/20 0.68
PIK3CG P48736 1/20 0.68
PI4KB Q9UBF8 1/20 0.68
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HSP90AA1 P07900 1/20 0.63
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
DHODH Q02127 1/20 0.58
TNF P01375 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL21772299 1.00 SCD (0.76) SCDHTTPIK3CAPIK3CBPIK3CG
SCHEMBL4912210 0.88 SCD (0.80) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31398557 0.87 HSD17B10 (0.67) SCDHTTNPC1RAB9ASMN1; SMN2
SCHEMBL16562171 0.86 SCD (1.00) SCDHTTPIK3CAPIK3CBPIK3CG
SCHEMBL21681916 0.86 MAP3K5 (0.69) SCDHTTNPC1RAB9ASMN1; SMN2
SCHEMBL5534541 0.85 HTT (1.00) SCDHTTPIK3CAPIK3CBPIK3CG
SCHEMBL14807016 0.84 SCD (0.77) SCDHTTPIK3CAPIK3CBPIK3CG
SCHEMBL14807588 0.84 TOP1 (0.74) SCDHTTNPC1RAB9ASMN1; SMN2
SCHEMBL21682161 0.84 SMN1; SMN2 (0.64) SCDHTTPIK3CAPIK3CBPIK3CG
SCHEMBL21682009 0.83 CASP3 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-2025040743-A1 CONJUGATED TLR7 AND RIG-I AGONISTS UNIVERZA V LJUBLJANI (SI) 2025-02-27 WO disclosed