SCHEMBL8687692

SCHEMBL8687692

Cc1ncsc1CCN1C(=O)SC(=Cc2cccc3[nH]ccc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ CISD1 Q9NZ45 3/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL8686390 0.80 AKR1B1 (0.41) CGASHPGDCISD1AKR1B1MAOA
SCHEMBL8686691 0.75 AKR1B1 (0.43) CGASHPGDCISD1AKR1B1MAOA
SCHEMBL8689993 0.69 NLRP3 (0.49) CGASAKR1B1PTPN1
SCHEMBL8812630 0.67 HPGD (0.58) HPGDCISD1AKR1B1
SCHEMBL8686947 0.67 MAPT (0.37) —
SCHEMBL8688100 0.66 ESRRA (0.44) CGASAKR1B1PTPN1
SCHEMBL4890278 0.65 PKM (0.55) HPGD
Bromide SCHEMBL7443970 0.64 PKM (0.53) HPGD
SCHEMBL8686941 0.64 CYP19A1 (0.33) HPGD
SCHEMBL8687687 0.64 HPGD (0.42) HPGD

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-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 — — US disclosed
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