SCHEMBL13636882

SCHEMBL13636882

N#Cc1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.52
PRSS1 P07477 10/20 0.52
F2 P00734 2/20 0.52
PLAT P00750 1/20 0.46
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 2/20 0.36
CD274 Q9NZQ7 1/20 0.35
AKR1C3 P42330 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
DEGS1 O15121 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
SCHEMBL13636885 0.83 F10 (0.76) F10PRSS1F2PLAT
SCHEMBL14534961 0.82 F10 (0.61) F10PRSS1F2PLATMAPT
SCHEMBL6641574 0.68 F10 (0.52) F10PRSS1F2PLAT
SCHEMBL6214905 0.67 DRD2 (0.51) MAPTCD274EGLN1
SCHEMBL3899304 0.67 P4HB (0.51) MAPTALDH1A1
SCHEMBL3899309 0.67 P4HB (0.51) MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL6644490 0.66 F10 (0.67) F10PRSS1F2PLAT
SCHEMBL14509370 0.65 F10 (0.87) F10PRSS1F2PLAT
SCHEMBL6644814 0.65 BRAF (0.42) F10PRSS1F2HDAC1CD274
SCHEMBL14509347 0.64 F10 (0.82) F10PRSS1F2PLAT

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-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed