SCHEMBL9822172

SCHEMBL9822172

CC(=O)OC(C)c1nc2nc(C)cc(Cl)n2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 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
SCHEMBL9822116 0.85 KMT2A (0.38) KMT2AMEN1KDM4ETP53ALDH1A1
SCHEMBL1681494 0.78 CKS1B (0.44) KMT2AMEN1CKS1BSKP2KDM4E
SCHEMBL9822141 0.72 KDM4E (0.50) KMT2ACKS1BSKP2KDM4ETP53
SCHEMBL9680203 0.71 DPP4 (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13729553 0.69 CKS1B (0.49) CKS1BSKP2TP53ALDH1A1HPGD
SCHEMBL20266745 0.66 KDM4E (0.78) KMT2AMEN1KDM4ETP53ALDH1A1
SCHEMBL10952409 0.66 DPP4 (0.44) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9678782 0.66 KDM4E (0.60) CKS1BSKP2KDM4ETP53ALDH1A1
SCHEMBL18373030 0.65 RECQL (0.53) CKS1BSKP2KDM4ETP53ALDH1A1
SCHEMBL27385291 0.65 POLB (0.38) KMT2AKDM4ETP53ALDH1A1HPGD

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 2 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
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