SCHEMBL4788964

SCHEMBL4788964

O=c1c2[nH]c(=O)n(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
DHFR P00374 1/20 0.48
CSNK2A1 P68400 6/20 0.46
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
GRM1 Q13255 2/20 0.39
GRM5 P41594 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4786830 0.90 MAPT (0.62) MAPTDHFRCSNK2A1KDM4EKMT2A
SCHEMBL4788288 0.87 DHFR (0.52) MAPTDHFRCSNK2A1KDM4EKMT2A
SCHEMBL14020392 0.87 CSNK2A1 (0.44) MAPTCSNK2A1KDM4EKMT2ALMNA
SCHEMBL4787158 0.85 CSNK2A1 (0.43) MAPTCSNK2A1KDM4EKMT2ALMNA
SCHEMBL4789080 0.80 TDP2 (0.44) MAPTCSNK2A1KDM4EKMT2ALMNA
SCHEMBL1688966 0.80 MAPT (0.52) MAPTDHFRKDM4EKMT2ALMNA
SCHEMBL4788538 0.79 MAPT (0.60) MAPTDHFRKDM4EKMT2ALMNA
SCHEMBL14021034 0.78 DHFR (0.51) MAPTDHFRCSNK2A1KDM4EKMT2A
SCHEMBL1689005 0.77 MAPT (0.57) MAPTDHFRKDM4EKMT2ALMNA
SCHEMBL1689130 0.77 MAPT (0.49) MAPTDHFRKDM4EKMT2ALMNA

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