SCHEMBL9822041

SCHEMBL9822041

COCc1cc(S)n2nc(C(=O)O)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL10407104 0.82 MEN1 (0.47) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL9822152 0.80 TDP1 (0.46) KMT2ATDP1ALDH1A1HSD17B10KDM4E
SCHEMBL9668869 0.78 KMT2A (0.63) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL9140788 0.76 DPP4 (0.40) KMT2AMEN1TDP1ALDH1A1HSD17B10
SCHEMBL9821991 0.74 TDP1 (0.38) KMT2ATDP1ALDH1A1HSD17B10KDM4E
SCHEMBL9822234 0.73 HCAR2 (0.39) TDP1ALDH1A1KDM4EHCAR2
SCHEMBL9143418 0.71 KMT2A (0.55) KMT2AMEN1TDP1ALDH1A1HSD17B10
SCHEMBL10407282 0.70 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL9822425 0.70 ALDH1A1 (0.40) KMT2AMEN1TDP1ALDH1A1HSD17B10
SCHEMBL9822045 0.69 TDP1 (0.33) TDP1ALDH1A1

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 6 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
US-4882082-A PYRIMIDINE DERIVATIVE LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-11-21 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
US-4752414-A LIQUID CRYSTAL PHASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-06-21 US disclosed