SCHEMBL7020341

SCHEMBL7020341

Cc1c(Cl)nc(NCCc2cccc(CN(C)C(=O)C(F)(F)F)c2)c(=O)n1C(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.51
F2 P00734 7/20 0.41
F7 P08709 6/20 0.41
F3 P13726 6/20 0.41
PRSS1 P07477 1/20 0.41
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7023018 0.89 TPSAB1 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7030921 0.88 TPSAB1 (0.44) TPSAB1F2F7F3PRSS1
SCHEMBL7020338 0.84 TPSAB1 (0.56) TPSAB1F2F7F3PRSS1
SCHEMBL7027598 0.73 TPSAB1 (0.54) TPSAB1F2F7F3PRSS1
SCHEMBL7027931 0.73 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7453183 0.73 F7 (0.51) TPSAB1F2F7F3PRSS1
SCHEMBL7026586 0.72 TPSAB1 (0.50) TPSAB1F2F7F3PRSS1
SCHEMBL7019887 0.71 KMT2A (0.57) KDM4EMEN1POLBMAPTCYP2C9
SCHEMBL7027983 0.67 F2 (0.56) TPSAB1F2F7F3PRSS1
SCHEMBL7449497 0.67 TPSAB1 (0.57) TPSAB1F2F7F3PRSS1

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed