SCHEMBL4726736

SCHEMBL4726736

COC(=O)c1cc(Cl)c2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
IKBKB O14920 1/20 0.43
MAPK10 P53779 1/20 0.43
CGAS Q8N884 1/20 0.43
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.40

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 0.83 GFER (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4024926 0.76 MEN1 (0.74) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL30523171 0.76 MEN1 (0.74) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL6688877 0.75 MAPT (0.50) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL9623026 0.74 USP2 (0.47) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL4022771 0.74 MAPT (0.48) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL7020838 0.74 AR (0.51) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL2485234 0.73 MAPT (0.61) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL6688391 0.72 MAPT (0.60) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL31147105 0.71 CA1 (0.54) MAPTMEN1KMT2ANPC1RAB9A

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