SCHEMBL5206462

SCHEMBL5206462

COc1ccc(C)c2sc(N)nc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHRM4 P08173 7/20 0.50
DUSP3 P51452 1/20 0.49
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
RCE1 Q9Y256 1/20 0.43
HTT P42858 1/20 0.42
ILK Q13418 1/20 0.42

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
SCHEMBL4128905 0.89 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL18416893 0.88 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL30189863 0.88 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL6875429 0.84 TDP1 (0.56) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL2171428 0.82 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL687610 0.81 SMN1; SMN2 (0.66) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL3042793 0.81 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL21902256 0.81 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL3037816 0.81 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1LMNASMN1; SMN2
SCHEMBL106320 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136812-A Compound for targeted degradation of transcription factor KLF5 and application thereof 昆明医科大学 2025-06-13 CN disclosed
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed