SCHEMBL5201679

SCHEMBL5201679

Cc1cccc2c(N(C)Cc3ccccc3B(O)O)c3ccccc3c(N(C)Cc3ccccc3B(O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 3/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.31
CSF1R P07333 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CASP7 P55210 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL13308813 0.75 CYP2A6 (0.37) TSHRCYP1A2MEN1KMT2ANPSR1
SCHEMBL14898348 0.71 CYP1A2 (0.40) LIPGCYP1A2CYP2D6CYP2C19HPGD
SCHEMBL29955063 0.70 LIPG (0.44) LIPGMEN1KMT2ANPSR1HPGD
SCHEMBL13308807 0.69 CYP2A6 (0.41) TSHRCYP1A2CYP2C19MEN1KMT2A
SCHEMBL29955523 0.69 RECQL (0.41) LIPGCYP1A2CYP2C19MEN1KMT2A
SCHEMBL4537 0.69 LIPG (0.50) LIPGTSHRMEN1KMT2AMAPT
SCHEMBL29504654 0.69 LIPG (0.50) LIPGTSHRMEN1KMT2AMAPT
SCHEMBL13740065 0.68 NR4A1 (0.40) LIPGMEN1KMT2ANPSR1GAA
SCHEMBL20362787 0.68 CYP2D6 (0.74) TSHRCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL1839968 0.67 CYP2D6 (0.49) LIPGTSHRCYP1A2CYP2D6CYP2C19

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
EP-1129353-B1 MINIMALLY INVASIVE METHODS FOR MEASURING ANALYTES IN VIVO BECKMAN COULTER INC (US) 2007-06-13 EP claimed