SCHEMBL8909063

SCHEMBL8909063

COc1ccc(C(=N)N)cc1Cn1c(-c2ccccc2)c(-c2ccccc2)n(Cc2cc(C(=N)N)ccc2OC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.43
PLAU P00749 4/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
KLK7 P49862 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLK5 Q9Y337 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 2/20 0.39
PLG P00747 2/20 0.39
KLK1 P06870 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8438863 0.93 F10 (0.48) PRSS1TP53F2F10
SCHEMBL8908116 0.83 F10 (0.49) PRSS1PLAUF2PLGF10
SCHEMBL8438856 0.76 F10 (0.49) PRSS1F2F10
SCHEMBL7358748 0.76 WDR5 (0.50) PRSS1PLAUF2F10
SCHEMBL7364511 0.75 F10 (0.57) PRSS1F2F10
SCHEMBL8908041 0.74 F10 (0.53) PRSS1F2F10
SCHEMBL7366139 0.74 F10 (0.53) PRSS1PLAUF2PLGKLK1
SCHEMBL7360668 0.72 F2 (0.54) PRSS1PLAUF2PLGKLK1
SCHEMBL8443278 0.71 F10 (0.52) PRSS1F2F10
SCHEMBL7359931 0.71 MRGPRX4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed