SCHEMBL6949843

SCHEMBL6949843

OCc1[nH]c(S)nc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.50
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.39
CALM1 P0DP23 1/20 0.38
PARP1 P09874 1/20 0.37
AR P10275 1/20 0.37
MPO P05164 1/20 0.36
PKM P14618 1/20 0.36
HTR2C P28335 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
KMT2A Q03164 1/20 0.36
RNASEH1 O60930 1/20 0.36
CDC7 O00311 1/20 0.35

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
SCHEMBL7957829 0.83 LMNA (0.38)
SCHEMBL8199608 0.83 HRH3 (0.37) LTB4RALDH1A1HPGDTSHRKMT2A
SCHEMBL6946482 0.81 PARP1 (0.41) HPGDTSHRPARP1
SCHEMBL28647090 0.81 LTB4R (0.49) LTB4RGAAALDH1A1HPGDKDM4E
SCHEMBL468691 0.79 LTB4R (0.47) LTB4RGAAALDH1A1HPGDKDM4E
SCHEMBL6949338 0.79 HRH3 (0.41) KMT2A
SCHEMBL9082686 0.77 GAA (0.49) LTB4RGAAKDM4ETSHRPKM
SCHEMBL7320698 0.77 MEN1 (0.49) GAAALDH1A1TSHRPKMKMT2A
SCHEMBL16412171 0.73 KDM4E (0.42) LTB4RGAAALDH1A1KDM4EHTT
SCHEMBL8185457 0.71 LTB4R (0.42) LTB4RGAAALDH1A1HPGDKDM4E

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 4 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
WO-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 WO disclosed