SCHEMBL9822263

SCHEMBL9822263

CC(=O)OCc1cc(Cl)n2nc(C)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
CSNK1D P48730 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9822154 0.87 KDM4E (0.39) TP53ALDH1A1POLBKDM4ENPC1
SCHEMBL9821955 0.87 TP53 (0.42) TP53L3MBTL1ALDH1A1POLBHPGD
SCHEMBL27387599 0.85 KDM4E (0.33) TP53ALDH1A1POLBLMNAKDM4E
SCHEMBL10396813 0.83 KDM4E (0.36) TP53ALDH1A1POLBKDM4EMAPT
SCHEMBL9142908 0.83 DPP4 (0.43) L3MBTL1ALDH1A1POLBHPGDKDM4E
SCHEMBL9822141 0.78 KDM4E (0.50) TP53ALDH1A1POLBKDM4EHTT
SCHEMBL27385291 0.77 POLB (0.38) TP53L3MBTL1ALDH1A1POLBHPGD
SCHEMBL9822108 0.74 KDM4E (0.40) TP53L3MBTL1ALDH1A1POLBKDM4E
SCHEMBL27387597 0.73 KDM4E (0.37) TP53ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL9142508 0.72 KDM4E (0.36) TP53ALDH1A1POLBKDM4ENPC1

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