SCHEMBL6589321

SCHEMBL6589321

NC(=O)c1[c]cc(-n2cccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.44
LRRK2 Q5S007 1/20 0.40
LMNA P02545 3/20 0.40
HDAC4 P56524 1/20 0.39
SYK P43405 3/20 0.38
CAPN1 P07384 1/20 0.37
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL323044 0.76 NOTUM (0.55) KDM4EALDH1A1MAPK1NOTUMLRRK2
SCHEMBL8425453 0.73 CAPN1 (0.47) KDM4EALDH1A1MAPK1NOTUMLRRK2
SCHEMBL5830804 0.72 KDM5A (0.38) KDM4EALDH1A1MAPK1LMNA
SCHEMBL2161445 0.70 LMNA (0.56) KDM4EALDH1A1MAPK1NOTUMLRRK2
SCHEMBL16595887 0.70 NOTUM (0.51) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL31173853 0.70 LMNA (0.56) KDM4EALDH1A1MAPK1NOTUMLRRK2
SCHEMBL4341894 0.70 NOTUM (0.78) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL7736097 0.69 NOTUM (0.46) KDM4EALDH1A1MAPK1NOTUMMGLL
SCHEMBL4707233 0.69 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMLRRK2
SCHEMBL5717609 0.69 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMLMNA

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
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed