SCHEMBL9656802

SCHEMBL9656802

Brc1cccnc1-c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL4055593 0.78 CYP3A4 (0.37) SMN1; SMN2MEN1KMT2ATDP1KDM4E
SCHEMBL1451183 0.78 KDM4E (0.41) SMN1; SMN2KMT2ATDP1KDM4EHTT
SCHEMBL1521695 0.78 CYP2A6 (0.44) KDM4EPTPRCCTSLCTSSPTPN13
SCHEMBL715110 0.75 PTGS2 (0.45) CDC25BMEN1KMT2ATDP1HTT
SCHEMBL467479 0.75 GABRA1 (0.38) PTPRCCTSLCTSSPTPN13LMNA
SCHEMBL7772699 0.75 CDC25B (0.46) CDC25BSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL29666462 0.75 CDC25B (0.46) CDC25BSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL4808960 0.74 TRIM24 (0.36) CDC25BSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL6716159 0.74 RUNX1 (0.34) SMN1; SMN2MEN1KMT2AKDM4ETP53
SCHEMBL2039645 0.74 ALDH1A1 (0.33) PTPRCCTSLCTSSPTPN13

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-5128335-A Antibiotics MERCK & CO., INC. (US) 1992-07-07 US disclosed
EP-0481662-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-22 EP disclosed