SCHEMBL6536027

SCHEMBL6536027

N=C(N)c1ccc2c(c1)ncc1ccccc12

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 11/20 0.50
PLAU P00749 7/20 0.50
PLG P00747 6/20 0.50
PRSS1 P07477 6/20 0.50
KLK1 P06870 3/20 0.50
KLKB1 P03952 1/20 0.50
PLAT P00750 3/20 0.45
F10 P00742 4/20 0.43
F7 P08709 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6536176 0.88 KDM4E (0.53) KDM4EGPR3F2PLAUPLG
SCHEMBL28327537 0.79 KDM4E (0.55) KDM4EGPR3NPC1RAB9ASMN1; SMN2
SCHEMBL19264891 0.76 KDM4E (0.64) KDM4EGPR3F2NPC1LMNA
SCHEMBL4766216 0.75 KDM4E (0.62) KDM4EGPR3MAPTCYP3A4
SCHEMBL28988470 0.75 ALOX15 (0.54) KDM4EGPR3NPC1MAPTRAB9A
Phenanthridine SCHEMBL19747329 0.74 KDM4E (0.67) KDM4EGPR3PLAUPLGNPC1
SCHEMBL27676053 0.73 KDM4E (0.60) KDM4EGPR3MAPTCYP3A4
SCHEMBL2680789 0.73 KDM4E (0.71) KDM4EGPR3NPC1LMNAMAPT
SCHEMBL5674933 0.71 MGAM (0.61) F2PLAUPLGPRSS1KLK1
SCHEMBL22333732 0.71 KDM4E (0.62) KDM4EGPR3NPC1LMNAMAPT

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
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