SCHEMBL4025604

SCHEMBL4025604

COC(=O)c1ccc2[nH]c3c(c2c1Cl)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
THRB P10828 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 7/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A3 Q01959 2/20 0.38
NR4A2 P43354 2/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL4029160 0.83 GFER (0.47) MAPTTHRBMEN1KMT2ALMNA
SCHEMBL2486768 0.81 KDM4E (0.49) MAPTTHRBUSP2MEN1KMT2A
SCHEMBL15067435 0.75 KDM4E (0.52) MAPTTHRBUSP2TP53KDM4E
SCHEMBL30571073 0.75 MAPT (0.47) MAPTTHRBUSP2MEN1KMT2A
SCHEMBL9623026 0.74 USP2 (0.47) MAPTTHRBUSP2MEN1KMT2A
SCHEMBL4022771 0.74 MAPT (0.48) MAPTTHRBUSP2MEN1KMT2A
SCHEMBL6922067 0.74 USP2 (0.43) MAPTTHRBUSP2LMNATP53
SCHEMBL5017970 0.72 MAPT (0.42) MAPTMEN1KMT2ALMNATP53
SCHEMBL6922902 0.71 GAA (0.40) MAPTUSP2MEN1KMT2ALMNA
SCHEMBL6755332 0.71 GFER (0.48) MAPTMEN1KMT2ALMNATP53

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-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed