SCHEMBL9677397

SCHEMBL9677397

COC(=O)c1nc2nc(C(C)C)cc(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 4/20 0.40
GLA P06280 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
F2 P00734 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOTUM Q6P988 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9677477 0.85 ALDH1A1 (0.41) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL9677390 0.84 ALDH1A1 (0.40) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL9680203 0.83 DPP4 (0.48) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL10952409 0.77 DPP4 (0.44) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL10617037 0.77 ALDH1A1 (0.49) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL9142908 0.75 DPP4 (0.43) DPP4ALDH1A1GLAKDM4EGAA
SCHEMBL9679506 0.73 POLB (0.49) DPP4ALDH1A1GAAF2KMT2A
SCHEMBL10619197 0.73 ALDH1A1 (0.53) DPP4ALDH1A1GAANPSR1KMT2A
SCHEMBL31727999 0.72 PKM (0.35) ALDH1A1KMT2AMEN1RECQL
SCHEMBL31728002 0.71 MEN1 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1

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