SCHEMBL8686390

SCHEMBL8686390

O=C1SC(=Cc2cccc3[nH]ccc23)C(=O)N1CCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.41
▸ CGAS Q8N884 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CISD1 Q9NZ45 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL8687692 0.80 CGAS (0.42) AKR1B1CGASMAOAMAOBCISD1
SCHEMBL8686691 0.79 AKR1B1 (0.43) AKR1B1CGASMAOAMAOBCISD1
SCHEMBL8689993 0.72 NLRP3 (0.49) AKR1B1CGASMAPTPTPN1
SCHEMBL8688100 0.69 ESRRA (0.44) AKR1B1CGASPTPN1
SCHEMBL8685078 0.65 TTR (0.63) AKR1B1MAOAMAOBCISD1ALDH1A1
SCHEMBL8686801 0.65 TTR (0.63) AKR1B1MAOAMAOBCISD1ALDH1A1
SCHEMBL13780771 0.65 MMP1 (0.54) AKR1B1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL24518535 0.63 FFAR1 (0.56) AKR1B1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL8811404 0.63 HPGD (0.50) AKR1B1HPGDMEN1KMT2A
SCHEMBL8687062 0.63 DAO (0.39) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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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