SCHEMBL4788795

SCHEMBL4788795

CC(C)c1ccc(-c2nc3c(c(=O)n2-c2ccc(Cl)cc2)n(Cc2ccncc2)c(=O)n3-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL14021050 0.89 MAPT (0.45) MAPTDHFRALDH1A1SMN1; SMN2MAPK8
SCHEMBL4786905 0.86 DHFR (0.45) MAPTDHFRALDH1A1SMN1; SMN2HPGD
SCHEMBL4788717 0.84 MAPT (0.42) MAPTDHFRALDH1A1SMN1; SMN2HPGD
SCHEMBL4787320 0.83 MAPT (0.41) MAPTDHFRTP53GRM5GRM1
SCHEMBL4788000 0.81 LMNA (0.40) MAPTDHFRALDH1A1SMN1; SMN2HPGD
SCHEMBL4789117 0.80 TP53 (0.40) MAPTDHFRTP53LMNAPDE4B
SCHEMBL4788897 0.78 DHFR (0.44) MAPTDHFRALDH1A1SMN1; SMN2HTT
SCHEMBL4786029 0.78 MAPT (0.52) MAPTDHFRALDH1A1SMN1; SMN2MAPK8
SCHEMBL4788865 0.75 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MAPK8HPGD
SCHEMBL1689289 0.75 MAPT (0.48) MAPTDHFRALDH1A1SMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed