SCHEMBL9679448

SCHEMBL9679448

CCOC(=O)c1cc(Cl)n2nc(C)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CSNK1D P48730 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL9141671 0.87 L3MBTL1 (0.47) ALDH1A1TP53HPGDL3MBTL1KDM4E
SCHEMBL20065122 0.85 KDM4E (0.51) ALDH1A1TP53HPGDL3MBTL1CSNK1D
SCHEMBL9679660 0.83 ALDH1A1 (0.48) ALDH1A1TP53HPGDL3MBTL1CSNK1D
SCHEMBL9677615 0.81 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1CYP1A2KDM4E
SCHEMBL21177423 0.79 KDM4E (0.45) ALDH1A1HPGDCYP1A2KDM4EGABRA2
SCHEMBL21189608 0.78 CYP1A2 (0.42) ALDH1A1HPGDCYP1A2KDM4EGABRA2
SCHEMBL21177528 0.77 ADORA3 (0.42) CYP1A2GABRA2GABRB2ADORA2APOLB
SCHEMBL9677200 0.76 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2KDM4EGABRA2
SCHEMBL18343707 0.76 KDM4E (0.46) ALDH1A1HPGDCYP1A2KDM4EADORA2A
SCHEMBL21177355 0.76 ADORA3 (0.42) ALDH1A1CYP1A2GABRA2GABRB2ADORA2A

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