SCHEMBL9822154

SCHEMBL9822154

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.34
TP53 P04637 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10396813 0.95 KDM4E (0.36) KDM4EPOLBRXFP1PKMTP53
SCHEMBL9822141 0.88 KDM4E (0.50) KDM4EPOLBRXFP1TP53RECQL
SCHEMBL9822263 0.87 TP53 (0.39) KDM4EPOLBTP53MAPTALDH1A1
SCHEMBL9822108 0.87 KDM4E (0.40) KDM4EPOLBRXFP1TP53RECQL
SCHEMBL27387597 0.85 KDM4E (0.37) KDM4EPOLBRXFP1PKMTP53
SCHEMBL9142508 0.84 KDM4E (0.36) KDM4EPOLBRXFP1TP53ALDH1A1
SCHEMBL27387599 0.84 KDM4E (0.33) KDM4EPOLBTP53MAPTALDH1A1
SCHEMBL9142908 0.82 DPP4 (0.43) KDM4EPOLBRECQLALDH1A1KMT2A
SCHEMBL9822317 0.75 KDM4E (0.51) KDM4EPOLBRXFP1TP53RECQL
SCHEMBL9821955 0.74 TP53 (0.42) KDM4EPOLBTP53MAPTALDH1A1

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