SCHEMBL11257622

SCHEMBL11257622

O=c1c(C(O)=S)coc2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.43
▸ MAOB P27338 9/20 0.41
▸ PBRM1 Q86U86 1/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ MAOA P21397 3/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4007022 0.77 TSHR (0.48) TTRMAOBPBRM1PSMB8PSMB5
SCHEMBL11257620 0.75 TSHR (0.43) TTRMAOBPBRM1PSMB8PSMB5
SCHEMBL11622080 0.74 MAOB (0.56) TTRMAOBPSMB8PSMB5MAOA
SCHEMBL11538924 0.73 CES1 (0.42) TTRMAOBMAOAALOX15ALOX12
SCHEMBL28990332 0.73 TTR (0.41) TTRMAOBPSMB8PSMB5MAOA
SCHEMBL28577211 0.73 TTR (0.41) TTRMAOBPSMB8PSMB5MAOA
SCHEMBL11253212 0.73 MAOB (0.72) MAOBMAOAADORA2B
Hydrochloric Acid SCHEMBL11256800 0.72 MAOB (0.70) MAOBMAOAADORA2B
SCHEMBL30307601 0.71 PTPN1 (0.62) TTRMAOBMAOA
SCHEMBL20793835 0.70 NR4A2 (0.54) PSMB8PSMB5KDM4E

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
US-4320133-A Penicillins and their antibacterial use SANDOZ LTD. (CH) 1982-03-16 — — US disclosed
EP-0003115-A1 Penicillins, per se and for use as antibacterially active antibiotics and their production SANDOZ AG (CH) 1979-07-25 — — EP disclosed
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