SCHEMBL9677299

SCHEMBL9677299

CCOC(=O)c1cc(S)n2nncc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
PDE5A O76074 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
SCHEMBL9678495 0.85 KDM4E (0.45) KDM4EPOLBGAACYP1A2ALDH1A1
SCHEMBL9677625 0.84 KDM4E (0.44) KDM4EPOLBGAACYP1A2ALDH1A1
SCHEMBL10567999 0.79 KDM4E (0.48) KDM4EPOLBCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9679660 0.75 ALDH1A1 (0.48) KDM4EPOLBGAACYP1A2ALDH1A1
SCHEMBL9677379 0.73 SMN1; SMN2 (0.44) KDM4EPOLBCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9677293 0.73 ALDH1A1 (0.49) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL9679484 0.71 KDM4E (0.46) KDM4EGAACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9679620 0.71 CYP1A2 (0.43) KDM4EPOLBGAACYP1A2ALDH1A1
SCHEMBL9664890 0.71 PIK3CG (0.34) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9679665 0.70 CYP1A2 (0.42) KDM4EPOLBGAACYP1A2ALDH1A1

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
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed