SCHEMBL8552704

SCHEMBL8552704

COc1ccc2nc3c(nc2c1)SCS3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ POLB P06746 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ NQO2 P16083 1/20 0.59
▸ MAPT P10636 4/20 0.47
▸ THRB P10828 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

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
SCHEMBL10214298 0.80 MEN1 (0.87) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL30717271 0.77 KMT2A (0.68) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL1160711 0.77 KMT2A (0.68) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL30717269 0.77 KMT2A (0.68) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL30717270 0.77 KMT2A (0.68) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL6935605 0.75 ALDH1A1 (0.70) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL15010571 0.75 NQO2 (1.00) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL10435667 0.75 KDM4E (0.70) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL8764555 0.73 KDM4E (0.53) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL31399998 0.73 ALDH1A1 (0.68) MEN1RAB9AKMT2AALDH1A1POLB

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
EP-0573635-B1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL DOW CHEMICAL CO (US) 1998-07-08 — — EP disclosed
EP-0784083-A2 Composition and use of substituted 1,3-dithiolo-and 1,4-dithiinoquinoxalines as an antimicrobial THE DOW CHEMICAL COMPANY (US) 1997-07-16 — — EP disclosed
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