SCHEMBL6167430

SCHEMBL6167430

Cc1cc(-c2ccc(-c3ccccc3C#N)cc2)c(C(N)=O)c(-c2cccc(C=NN)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.36
DGAT1 O75907 1/20 0.36
XDH P47989 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
ESR2 Q92731 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL6164018 0.85 CDC7 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7103088 0.84 CTSA (0.35) ALDH1A1DGAT1XDHPSEN1PSEN2
SCHEMBL6167434 0.80 PSEN1 (0.41) ALDH1A1GRM5PSEN1PSEN2APH1B
SCHEMBL6185417 0.77 CDC7 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7103093 0.76 PSEN1 (0.44) ALDH1A1GRM5PSEN1PSEN2APH1B
SCHEMBL6185405 0.72 CDC7 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6164025 0.72 F10 (0.51) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL6185415 0.70 CTSA (0.34) HPGDGABRA1GABRG2GABRB3GABRA2
SCHEMBL6163106 0.68 ALOX5AP (0.40) IKBKB
SCHEMBL6166606 0.67 ABL1 (0.35) ESR2CDC7SCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed