SCHEMBL9679484

SCHEMBL9679484

CCOC(=O)c1cnc2cnnn2c1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
GAA P10253 6/20 0.46
GLA P06280 3/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HSD17B10 Q99714 4/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CSNK1D P48730 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9679511 0.84 KDM4E (0.47) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL9678739 0.83 NPC1 (0.47) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL9543886 0.83 KDM4E (0.61) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL9679476 0.75 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL9677299 0.71 KDM4E (0.44) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL8986609 0.70 RAB9A (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL9199014 0.69 LMNA (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17146906 0.68 TSHR (0.59) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL28136481 0.67 ALDH1A1 (0.50) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL27875880 0.67 RAB9A (0.53) KDM4EGAAALDH1A1NPC1RAB9A

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