SCHEMBL4783201

SCHEMBL4783201

NC(=O)CC(CCCCl)c1cc(C(=O)O)cc2c3c([nH]c12)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
IKBKB O14920 1/20 0.40
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
KDM4E B2RXH2 6/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GFER P55789 1/20 0.37
CASP1 P29466 2/20 0.37
F2 P00734 1/20 0.37
CASP7 P55210 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4725291 0.71 GFER (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4780955 0.63 MEN1 (0.60) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL29643236 0.63 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL1586929 0.63 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4780967 0.62 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL10738593 0.62 MAPT (0.68) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL2021575 0.62 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11742170 0.61 GFER (0.61) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4283723 0.61 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4094478 0.61 MAPT (0.42) MAPTMEN1KMT2AALDH1A1MAPK1

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed