SCHEMBL9821928

SCHEMBL9821928

COCc1nc2nc(C)cc(S)n2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.42
PDE10A Q9Y233 3/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9822507 0.81 RECQL (0.50) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822209 0.81 RECQL (0.50) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822314 0.81 RECQL (0.50) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9300412 0.81 RECQL (0.53) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822045 0.81 TDP1 (0.33) RECQLALDH1A1HTT
SCHEMBL9822160 0.80 ALDH1A1 (0.34) RECQLALDH1A1HTTKDM4ETP53
SCHEMBL9679209 0.79 KDM4E (0.60) RECQLALDH1A1HTTKDM4EHPGD
SCHEMBL9822234 0.79 HCAR2 (0.39) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822091 0.78 RECQL (0.58) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822487 0.77 KDM4E (0.35) RECQLALDH1A1HTTKDM4EHPGD

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