SCHEMBL9822200

SCHEMBL9822200

COCc1cc(S)n2nc(C)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
MAOB P27338 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
HTR6 P50406 2/20 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
SCHEMBL9822194 0.81 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9822180 0.81 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2MAOBUSP2
SCHEMBL9822152 0.76 TDP1 (0.46) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10407427 0.76 PIK3CG (0.44) KDM4EHPGDALDH1A1SMN1; SMN2MAOB
SCHEMBL9822431 0.75 KDM4E (0.38) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9821940 0.75 KDM4E (0.38) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9822425 0.69 ALDH1A1 (0.40) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9821991 0.68 TDP1 (0.38) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL9822041 0.67 KMT2A (0.44) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10407049 0.67 CYP1A2 (0.39) KDM4EALDH1A1SMN1; SMN2MAOBUSP2

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