SCHEMBL11600529

SCHEMBL11600529

c1ccc2c(SSc3nsc4ccccc34)nsc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ EPAS1 Q99814 9/20 0.46
▸ GPR3 P46089 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ ADRA2A P08913 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ MC5R P33032 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL6691525 0.83 MAPT (0.55) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL18485267 0.83 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL9731178 0.78 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL14805661 0.78 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL18193688 0.78 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL10766120 0.75 ALDH1A1 (0.43) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL2050847 0.74 MAPT (0.56) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL15665083 0.74 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL2954045 0.74 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.73 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1

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
US-4070318-A VINYL PYRIDINE COPOLYMER RUBBER, CONDENSATION THE GENERAL TIRE & RUBBER COMPANY (US) 1978-01-24 — — US disclosed
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