SCHEMBL4783722

SCHEMBL4783722

CN(Cc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1)C(=O)Oc1cn(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 8/20 0.40
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PRNP P04156 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4785214 0.90 NCEH1 (0.38) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4783542 0.83 NCEH1 (0.41) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4675976 0.81 PTPN1 (0.39) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4674024 0.80 PTPN1 (0.43) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4781322 0.79 NCEH1 (0.43) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4673192 0.78 PTPN1 (0.43) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4675977 0.78 PTPN1 (0.49) NCEH1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4672473 0.78 PTPN1 (0.51) NCEH1PTPN1
SCHEMBL4673082 0.76 NCEH1 (0.36) NCEH1MAPT
SCHEMBL3979138 0.75 ROCK1 (0.42) MAPTABCG2HPGD

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