SCHEMBL8689646

SCHEMBL8689646

O=C1SC(OCCON=Cc2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PPARG P37231 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 4/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
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
SCHEMBL8687556 0.91 POLB (0.38) POLBPPARGALDH1A1LMNAMAPT
SCHEMBL8687292 0.89 TAAR1 (0.41) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL8687106 0.87 PTPN1 (0.39) POLBPPARGALDH1A1LMNAMAPT
SCHEMBL8688315 0.85 TAAR1 (0.55) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL8687169 0.82 ADORA2A (0.38) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL8689551 0.82 POLB (0.41) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL8689523 0.80 POLB (0.36) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL8687453 0.79 POLB (0.36) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL3774754 0.75 MAPT (0.50) POLBALDH1A1MAPTTHRBKMT2A
SCHEMBL8687366 0.74 POLB (0.44) POLBPPARGALDH1A1LMNAMAPT

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-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed