SCHEMBL6947226

SCHEMBL6947226

CCc1nc(S)[nH]c1CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11268737 0.77 KDM4E (0.36) SMPD3KDM4EALDH1A1
SCHEMBL7134076 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5790867 0.74
SCHEMBL6949843 0.73 LTB4R (0.50) KDM4EALDH1A1
SCHEMBL11473876 0.72 KDM4E (0.31) SMPD3KDM4E
SCHEMBL7957829 0.71 LMNA (0.38)
SCHEMBL4353447 0.68 ADORA1 (0.39) KDM4EALDH1A1
SCHEMBL7320698 0.66 MEN1 (0.49) ALDH1A1
SCHEMBL20461243 0.64 PDK2 (0.30)
SCHEMBL9281048 0.62 HTT (0.43) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255737-A4 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD (KR) 2003-04-16 EP disclosed
EP-1255737-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG Chem Investment, Ltd. (KR) 2002-11-13 EP disclosed
WO-2001017974-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD. (KR) 2001-03-15 WO disclosed