SCHEMBL9489778

SCHEMBL9489778

O=C(O)CNC(=S)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX12 P18054 2/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
PTPN1 P18031 1/20 0.47
PTPN7 P35236 1/20 0.46
ABAT P80404 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44

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
SCHEMBL5632427 0.83 NR1H4 (0.63) NR1H4KDM4EMAPTKMT2ANPC1
SCHEMBL7701997 0.81 POLB (0.57) ALDH1A1ALOX12CES1ABATKDM4E
SCHEMBL26118756 0.79 PTPRC (0.57) NR1H4KDM4EMAPTKMT2ANPC1
SCHEMBL3373461 0.74 PTPN1 (0.65) ALDH1A1ALOX12CES2CES1NR1H4
SCHEMBL24133347 0.73 NR1H4 (0.74) NR1H4KDM4ENPC1RAB9A
SCHEMBL10950423 0.73 NR1H4 (0.62) CES2CES1NR1H4MAPTKMT2A
SCHEMBL11780086 0.72 CES2 (0.61) ALDH1A1ALOX12CES2CES1NR1H4
SCHEMBL9749587 0.72 F2 (0.52) ALDH1A1ALOX12CES2CES1PTPN1
SCHEMBL1974978 0.71 PTPN1 (0.71) ALDH1A1ALOX12CES2CES1NR1H4
SCHEMBL29489791 0.71 PTPN1 (0.71) ALDH1A1ALOX12CES2CES1NR1H4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
EP-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
US-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US disclosed
EP-0206546-B1 N-[(1-naphthalenyl)-thioxomethyl and carbonyl]-N-methylglycinamide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-08 EP disclosed
US-4925968-A ANTIDIABETIC AGENTS; CHEMICAL INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-05-15 US disclosed
US-4853484-A N-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-thioxomethyl]-N-methylglycine S-oxide and the amide thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1989-08-01 US disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0182499-B1 N-(6-METHOXY-5-(PERFLUOROALKYL)-1-NAPHTOLYL)-N-METYLGLYCINES AND THEIR THIONAPHTHOYL ANALOGS AYERST, MCKENNA AND HARRISON INC. (CA) 1989-04-12 EP disclosed
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 US disclosed
US-4734435-A N-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-thioxomethyl]-N-methylglycine S-oxide and the amide thereof AMERICAN HOME PRODUCTS CORP. (US) 1988-03-29 US disclosed
US-4672058-A N[[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]-thioxomethyl]-N-methylglycinamides AMERICAN HOME PRODUCTS CORPORATION (US) 1987-06-09 US disclosed
US-4672059-A ENZYME INHIBITORS; PREVENT OR TREAT DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1987-06-09 US disclosed
EP-0206546-A2 N-[(1-naphthalenyl)-thioxomethyl and carbonyl]-N-methylglycinamide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1986-12-30 EP disclosed
US-4604406-A ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON, INC. (CA) 1986-08-05 US disclosed
EP-0182499-A1 N-(6-methoxy-5-(perfluoroalkyl)-1-naphtolyl)-N-metylglycines and their thionaphthoyl analogs AYERST, MCKENNA AND HARRISON INC. (CA) 1986-05-28 EP disclosed
US-4447452-A ANTIDIABETIC AGENT AYERST, MCKENNA & HARRISON INC. (CA) 1984-05-08 US disclosed
US-4447452-A ANTIDIABETIC AGENT AYERST, MCKENNA & HARRISON INC. (CA) 1984-05-08 US disclosed
US-4447452-A ANTIDIABETIC AGENT AYERST, MCKENNA & HARRISON INC. (CA) 1984-05-08 US disclosed
US-4446150-A TREATING DIABETIC COMPLICATIONS AYERST, MCKENNA & HARRISON, INC. (CA) 1984-05-01 US disclosed