SCHEMBL7813349

SCHEMBL7813349

O=C(O)c1sccc1Sc1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 5/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ PTPRG P23470 5/20 0.45
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PTPN1 P18031 2/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ GPR35 Q9HC97 2/20 0.38
▸ AXL P30530 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTPRF P10586 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ABCC1 P33527 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
SCHEMBL9825879 0.77 KMT2A (0.52) PTPRCKMT2APTPRG
SCHEMBL9334847 0.77 PTPRC (0.58) PTPRCKMT2APTPRGMAPTPTPN1
SCHEMBL7246054 0.73 KMT2A (0.56) PTPRCKMT2APTPRGMAPTPTPN1
SCHEMBL9381291 0.70 HPGD (0.49) PTPRCKMT2AMAPTLMNANPSR1
SCHEMBL18171985 0.69 KMT2A (0.64) PTPRCKMT2APTPRGMAPTPTPN1
SCHEMBL9587999 0.69 — —
SCHEMBL6665571 0.68 CYP2A6 (0.38) LCKFYNDAOCES2CES1
SCHEMBL4731500 0.68 KDM4E (0.57) PTPRCKMT2APTPRGMAPTLMNA
SCHEMBL9534144 0.68 LCK (0.33) KMT2ALCKFYNDAOCES2
SCHEMBL10511504 0.67 BCAT2 (0.48) PTPRCKMT2APTPRGMAPT

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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