SCHEMBL17811547

SCHEMBL17811547

Cc1c(-c2ccccc2)sc2c1C(=O)CC(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GRM6 O15303 5/20 0.35
GRIA1 P42261 2/20 0.35
CACNG8 Q8WXS5 2/20 0.35
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
ALOX5 P09917 1/20 0.34
TDP2 O95551 1/20 0.34
GRM5 P41594 1/20 0.34
BRD4 O60885 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL17811546 0.81 PGR (0.40) SMN1; SMN2RAB9APGRHTR1AADRA2A
SCHEMBL14718130 0.74 RECQL (0.31) SMN1; SMN2RAB9AALDH1A1HPGDGAA
SCHEMBL16996824 0.69 GRM6 (0.52) RAB9AALDH1A1GRM6ALOX5GRM5
SCHEMBL14190044 0.67 GRM6 (0.50) RAB9AALDH1A1GRM6ALOX5GRM5
SCHEMBL14719196 0.67 PTP4A3 (0.48) SMN1; SMN2RAB9AALDH1A1TDP2CHEK1
SCHEMBL14897949 0.67 RECQL (0.41) SMN1; SMN2RAB9AALDH1A1GRM6ALOX5
SCHEMBL12589711 0.65 TDP2 (0.42) SMN1; SMN2RAB9AALDH1A1GRIA1CACNG8
SCHEMBL13713793 0.64 GRM6 (0.47) SMN1; SMN2RAB9AALDH1A1GRM6ALOX5
SCHEMBL1821923 0.63 ACHE (0.37) ALDH1A1GRM6ALOX5GRM5LIMK1
Biphenyl SCHEMBL1855900 0.60 TDP2 (0.52) SMN1; SMN2RAB9APGRALDH1A1AHR

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-9365584-B2 Thieno [2,3-B] pyridinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-06-14 US disclosed