SCHEMBL6952106

SCHEMBL6952106

C=CCn1c(CO)cnc1S

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
ADORA2B P29275 4/20 0.31
ADORA2A P29274 2/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA1 P30542 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1984602 0.80 MAPK1 (0.40) MAPK1CYP3A4POLBHTTADORA2B
SCHEMBL7248981 0.72 MAPT (0.35) MAPK1POLBHTTADORA2BADORA2A
SCHEMBL5397038 0.72 POLB (0.37) MAPK1CYP3A4POLBHTTADORA2B
SCHEMBL11245537 0.71 CYP3A4 (0.46) CYP3A4POLBADORA2BADORA2AADORA3
SCHEMBL5657557 0.70 POLB (0.33) MAPK1POLBHTTADORA2BADORA3
SCHEMBL5656943 0.70 POLB (0.36) MAPK1POLBHTTADORA2BADORA2A
SCHEMBL6950271 0.64 CYP11B1 (0.44) MAPK1ADORA2B
SCHEMBL5654666 0.64 MLYCD (0.33) POLB
SCHEMBL7252343 0.64 MAPK1 (0.40) MAPK1POLBHTT
SCHEMBL7806190 0.63 CYP3A4 (0.38) CYP3A4

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
US-6630593-B1 A process for preparing a 1-substituted 5-hydroxymethylimidazole of the formula: wherein R represents alkyl, hydroxyalkyl, allyl, or substituted or unsubstituted arylmethyl or diarylmethyl, comprising the step of reacting a LG CHEM INVESTMENT LTD. (KR) 2003-10-07 US disclosed
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