SCHEMBL9821980

SCHEMBL9821980

Cc1nc2nc(CO)nn2c(S)c1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9822140 0.86 RECQL (0.41) RECQLALDH1A1HTTPDE10APKM
SCHEMBL9821975 0.81 RECQL (0.35) RECQLALDH1A1HTTPDE10APKM
SCHEMBL9300412 0.72 RECQL (0.53) RECQLALDH1A1HTTPDE10AKDM4E
SCHEMBL10407044 0.70 MEN1 (0.49) ALDH1A1HTTPDE10AKDM4ENPSR1
SCHEMBL10582991 0.70 KDM4E (0.36) RECQLALDH1A1HTTPKMKDM4E
SCHEMBL10910540 0.70 KDM4E (0.36) RECQLALDH1A1HTTKDM4ENPSR1
SCHEMBL1464710 0.69 RECQL (0.73) RECQLALDH1A1HTTPDE10AKDM4E
SCHEMBL13404830 0.69 KDM4E (0.48) RECQLALDH1A1HTTKDM4E
SCHEMBL9822134 0.68 RECQL (0.40) RECQLALDH1A1HTTPDE10APKM
SCHEMBL10407404 0.68 ALDH1A1 (0.40) ALDH1A1

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 5 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
US-4885323-A POLYMER LIGHT STABILIZERS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-12-05 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