SCHEMBL6214501

SCHEMBL6214501

CCOC(=S)c1sc2nc(C)nc(-c3ccc(OC)cc3)c2c1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ABCG2 Q9UNQ0 6/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
RCE1 Q9Y256 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.44
ABCC1 P33527 1/20 0.41
CHRM4 P08173 2/20 0.41
LIMK1 P53667 1/20 0.41
IKBKB O14920 1/20 0.41
FLT1 P17948 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 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
SCHEMBL6216364 0.90 ABCG2 (0.45) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL6216800 0.89 IKBKB (0.43) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL6216687 0.89 ALDH1A1 (0.50) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL4432076 0.87 LHCGR (0.50) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL6217395 0.86 LIMK1 (0.46) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL5025998 0.83 BRAF (0.46) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL6216335 0.83 EEF2K (0.38) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL6217543 0.81 SMN1; SMN2 (0.44) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL6216809 0.81 MAPT (0.43) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL6214611 0.80 IKBKB (0.45) MAPTALDH1A1KDM4ECHRM4LIMK1

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-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP claimed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US claimed
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed