SCHEMBL9821982

SCHEMBL9821982

OCc1nc2nccc(S)n2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORD Q00796 14/20 0.41
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL9822100 0.87 SORD (0.35) SORDKDM4ENPC1ALDH1A1TP53
SCHEMBL9821978 0.81 SORD (0.42) SORDKDM4ENPC1ALDH1A1TP53
SCHEMBL10911387 0.81 SORD (0.42) SORDKDM4ENPC1ALDH1A1TP53
SCHEMBL9822162 0.79 PKM (0.35) KDM4ENPC1ALDH1A1TP53GLA
SCHEMBL9821989 0.72 RECQL (0.35) KDM4EALDH1A1
SCHEMBL9300412 0.71 RECQL (0.53) KDM4EALDH1A1TP53POLB
SCHEMBL10407043 0.71 KMT2A (0.41) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL9822214 0.70 SORD (0.35) SORD
SCHEMBL9822121 0.69 RECQL (0.33) ALDH1A1
SCHEMBL9822398 0.68 ALDH1A1 (0.34) KDM4EALDH1A1HPGD

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