SCHEMBL6536176

SCHEMBL6536176

N=C(N)c1ccc2ncc3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GPR3 P46089 1/20 0.53
F2 P00734 10/20 0.50
PLAU P00749 7/20 0.50
PRSS1 P07477 6/20 0.50
PLG P00747 6/20 0.50
KLK1 P06870 3/20 0.50
KLKB1 P03952 1/20 0.50
PLAT P00750 4/20 0.49
F10 P00742 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
F7 P08709 4/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6536027 0.88 KDM4E (0.53) KDM4EGPR3F2PLAUPRSS1
SCHEMBL27908893 0.81 KDM4E (0.56) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL9053551 0.79 KDM4E (0.55) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL30971541 0.78 KDM4E (0.49) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL28736625 0.77 KDM4E (0.51) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL6151918 0.76 KDM4E (0.64) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL11277554 0.75 KDM4E (0.62) KDM4EGPR3MEN1KMT2AMAPT
Phenanthridine SCHEMBL19747329 0.74 KDM4E (0.67) KDM4EGPR3PLAUPLGMEN1
SCHEMBL27651171 0.73 KDM4E (0.60) KDM4EGPR3MEN1KMT2AMAPT
SCHEMBL2680789 0.73 KDM4E (0.71) KDM4EGPR3MEN1KMT2AMAPT

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-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP claimed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP claimed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO claimed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed