SCHEMBL6968087

SCHEMBL6968087

Cc1oc(-c2ccccc2)nc1COc1ccccc1C=CC=C1SC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
PTP4A3 O75365 1/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TTR P02766 1/20 0.48
BLM P54132 1/20 0.48
PLA2G1B P04054 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
PTPN1 P18031 5/20 0.45
HPGD P15428 3/20 0.43
FFAR1 O14842 1/20 0.42
PTPN2 P17706 1/20 0.41
KDR P35968 1/20 0.41
IGF1R P08069 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6972649 0.85 KDR (0.48) KCNH2POLBPTPN1HPGDFFAR1
SCHEMBL6972309 0.84 KDR (0.52) MEN1KMT2AHPGDFFAR1KDR
SCHEMBL10365494 0.81 HPGD (0.61) KDM4EPOLBPTPN1HPGDFFAR1
SCHEMBL10365493 0.81 HPGD (0.61) KDM4EPOLBPTPN1HPGDFFAR1
SCHEMBL8141922 0.80 KCNH2 (0.50) KCNH2KDM4EPOLBHTTPTPN1
SCHEMBL8141923 0.80 KCNH2 (0.50) KCNH2KDM4EPOLBHTTPTPN1
SCHEMBL6972899 0.80 CDK4 (0.56) KDM4EPOLBPTPN1HPGDFFAR1
SCHEMBL6972900 0.80 CDK4 (0.56) KDM4EPOLBPTPN1HPGDFFAR1
SCHEMBL6157744 0.78 FFAR1 (0.53) ALDH1A1KDM4EPOLBHTTPTPN1
SCHEMBL8181082 0.76 IGF1R (0.61) PTP4A3MEN1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed