SCHEMBL4781322

SCHEMBL4781322

CCCc1c(OC(=O)N(C)Cc2ccc3c(Br)c(OCc4nnn[nH]4)ccc3c2)cnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.43
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPK1 P28482 3/20 0.34
PDE5A O76074 1/20 0.33
MAPK14 Q16539 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4781060 0.88 NCEH1 (0.40) NCEH1PTPN1ALDH1A1MAPK1PDE5A
SCHEMBL4783542 0.80 NCEH1 (0.41) NCEH1PTPN1MAPK1MAPTNPC1
SCHEMBL4783722 0.79 NCEH1 (0.40) NCEH1PTPN1MAPK1MAPTLMNA
SCHEMBL4785214 0.78 NCEH1 (0.38) NCEH1ALDH1A1MAPTLMNANPC1
SCHEMBL4672473 0.77 PTPN1 (0.51) NCEH1PTPN1
SCHEMBL4675977 0.77 PTPN1 (0.49) NCEH1PTPN1MAPTNPC1RAB9A
SCHEMBL4674024 0.76 PTPN1 (0.43) NCEH1PTPN1MAPTNPC1RAB9A
SCHEMBL4673192 0.76 PTPN1 (0.43) NCEH1PTPN1MAPTGAALMNA
SCHEMBL4675976 0.76 PTPN1 (0.39) NCEH1PTPN1MAPTNPC1RAB9A
SCHEMBL3970085 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1MAPK14MAPTGAA

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
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed