SCHEMBL9401658

SCHEMBL9401658

COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccc(SC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
ADORA3 P0DMS8 2/20 0.56
HPGD P15428 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CACNA1F O60840 3/20 0.52
CACNA1D Q01668 3/20 0.52
CACNA1S Q13698 3/20 0.52
CACNA1C Q13936 3/20 0.52
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
PDE1C Q14123 2/20 0.49

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
SCHEMBL11835842 0.87 ADORA3 (0.72) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL7265410 0.86 TSHR (0.65) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL6951320 0.84 ADORA3 (0.76) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL9401767 0.83 KDM4E (0.68) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL9272854 0.83 CACNA1F (0.69) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL7158395 0.82 ADORA3 (0.60) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL7358894 0.81 TSHR (0.67) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL3118761 0.81 CACNA1F (0.59) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL7162679 0.80 TSHR (0.58) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL9832868 0.80 CACNA1B (0.70) HTTADORA3KMT2AMEN1CACNA1F

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed