SCHEMBL9822141

SCHEMBL9822141

CC(=O)OCc1nc2nc(C)cc(Cl)n2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 2/20 0.44
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.41
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
TSHR P16473 1/20 0.38

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 0.88 KDM4E (0.39) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL9822317 0.85 KDM4E (0.51) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL27387597 0.84 KDM4E (0.37) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL9142508 0.83 KDM4E (0.36) KDM4EPOLBRXFP1ALDH1A1TP53
SCHEMBL10396813 0.83 KDM4E (0.36) KDM4EPOLBRXFP1ALDH1A1TP53
SCHEMBL9822314 0.81 RECQL (0.50) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL20266745 0.80 KDM4E (0.78) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL10339386 0.80 KDM4E (0.49) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL9677360 0.78 KDM4E (0.60) KDM4EPOLBRXFP1RECQLALDH1A1
SCHEMBL18373030 0.78 RECQL (0.53) KDM4EPOLBRXFP1RECQLALDH1A1

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