SCHEMBL9821940

SCHEMBL9821940

COCc1cc(S)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PDE10A Q9Y233 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.34
KCNN3 Q9UGI6 1/20 0.34
PIK3CG P48736 1/20 0.33
CASP1 P29466 1/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CDK7 P50613 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
SCHEMBL7438434 0.82 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9821935 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10PRKAB2
SCHEMBL9822013 0.79 PDE10A (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9822431 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9822200 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9301157 0.73 PDE10A (0.43) KDM4EALDH1A1PDE10ASMN1; SMN2MAPT
SCHEMBL9822425 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9822152 0.70 TDP1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL29493651 0.69 MKNK1 (0.36) KDM4EALDH1A1HPGDHSD17B10PRKAB2
SCHEMBL7481486 0.69 DYRK1A (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed