SCHEMBL2369472

SCHEMBL2369472

[c]1nc(CCCn2ccnc2)nc2scc(-c3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATP4A P20648 4/20 0.42
ATP4B P51164 4/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
TBXAS1 P24557 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL6359338 0.76 ESR1 (0.38) MEN1KMT2AGAAESR1ALOX15
SCHEMBL6359795 0.73 ALDH1A1 (0.42) MEN1KMT2AGAAESR1ALOX15
SCHEMBL5790639 0.73 HTT (0.35) MEN1KMT2AGAAALOX15HSD17B10
SCHEMBL6364115 0.69 HTT (0.41) MEN1KMT2AGAAHSD17B10
SCHEMBL6364382 0.66 ESR1 (0.45) GAAESR1HSD17B10GSK3AGSK3B
SCHEMBL2368870 0.66 LMNA (0.63) MEN1KMT2AGAAHSD17B10GSK3A
SCHEMBL3160306 0.66 CYP19A1 (0.71) CYP11B1CYP11B2CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL411704 0.64 CYP19A1 (0.69) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL230077 0.64 CYP19A1 (0.63) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL227437 0.64 CYP19A1 (0.63) CYP11B1CYP11B2CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed