SCHEMBL9640822

SCHEMBL9640822

O=C1Cc2ccc(Cl)cc2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AHR P35869 2/20 0.43
CMA1 P23946 1/20 0.43
METAP1 P53582 1/20 0.42
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
PARP10 Q53GL7 1/20 0.37
S100A4 P26447 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP2 O95551 1/20 0.34
HSD17B3 P37058 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 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
SCHEMBL9700006 0.84 HPGD (0.50) HPGDL3MBTL1AHRCMA1METAP1
SCHEMBL5535510 0.78 HPGD (0.40) HPGDL3MBTL1AHRCMA1METAP1
SCHEMBL30569555 0.76 CMA1 (0.43) HPGDL3MBTL1AHRCMA1METAP1
SCHEMBL29070094 0.76 CMA1 (0.43) HPGDL3MBTL1AHRCMA1METAP1
SCHEMBL9641861 0.76 PARP1 (0.37) PARP1PARP10TDP2HSD17B3MAPT
SCHEMBL16250772 0.76 ALDH1A1 (0.50) HPGDMETAP1PARP1PARP10HSD17B3
SCHEMBL20734693 0.75 BLM (0.32) HPGD
SCHEMBL28780269 0.74 HPGD (0.61) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL7092813 0.72 KDM4E (0.49) HPGDL3MBTL1METAP1GAALMNA
SCHEMBL11759541 0.71 HPGD (0.63) HPGDL3MBTL1METAP1VHLELOC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147889-A Antiinflammatory, analgesic CIBA-GEIGY CORPORATION (US) 1992-09-15 US disclosed
EP-0336886-B1 THIO COMPOUNDS CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed
US-5051421-A Analgesics and antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
EP-0336886-A1 Thio compounds CIBA-GEIGY AG (CH) 1989-10-11 EP disclosed
US-4396621-A ANALGESICS, ANTIIMFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-02 US disclosed