SCHEMBL8310667

SCHEMBL8310667

N=C(N)c1ccc2cc(OCC(=O)c3ccccc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.58
KDM4E B2RXH2 1/20 0.55
F2 P00734 6/20 0.53
PLG P00747 4/20 0.53
KLK1 P06870 3/20 0.53
PRSS1 P07477 3/20 0.53
KLKB1 P03952 2/20 0.53
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPN7 P35236 1/20 0.51
PLAT P00750 2/20 0.51
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
F10 P00742 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9925462 0.87 KDM4E (0.68) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7336793 0.85 PTPN7 (0.61) PLAUF2PLGKLK1PRSS1
SCHEMBL1312768 0.84 PTPN7 (0.72) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7347409 0.81 PLAU (0.52) PLAUF2PLGKLK1PRSS1
SCHEMBL7344446 0.79 PLAU (0.54) PLAUKDM4EF2PLGKLK1
SCHEMBL7337750 0.78 F12 (0.71) PLAUF2PLGKLK1PRSS1
SCHEMBL19430636 0.78 F2 (0.74) PLAUF2PRSS1PRSS2PRSS3
SCHEMBL29291670 0.77 PARP10 (0.67) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7830226 0.77 F2 (0.76) PLAUF2PRSS1PRSS2PRSS3
SCHEMBL9786970 0.77 MAPT (0.74) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed