SCHEMBL7330645

SCHEMBL7330645

CCC(C(=O)O)n1c(C)ccc(N)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
GFER P55789 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
SCHEMBL948599 0.79 ALDH1A1 (0.41) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL7026979 0.75 KDM4E (0.36) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL27357004 0.72 LMNA (0.37) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL27654221 0.72 PTGS2 (0.40) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL952144 0.72 PTGS2 (0.40) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL6525463 0.69 POLB (0.41) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL6846384 0.69 ALDH1A1 (0.37) KDM4EMAPTL3MBTL1RECQLKMT2A
SCHEMBL19086972 0.68 KDM4E (0.40) KDM4EMAPTL3MBTL1HSD17B10POLB
SCHEMBL4456432 0.67 APEX1 (0.42) KDM4EMAPTL3MBTL1POLBTDP1
SCHEMBL3377826 0.66 POLB (0.37) KDM4EMAPTL3MBTL1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed