SCHEMBL4407478

SCHEMBL4407478

Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(CCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
KMT2A Q03164 5/20 0.38
CYP19A1 P11511 1/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 3/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNE1 P15382 1/20 0.36
CHRM3 P20309 1/20 0.36
PTGS1 P23219 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4419730 0.99 ALPL (0.39) ALPLALPIKMT2ACYP19A1MAPT
SCHEMBL4881596 0.90 MAPT (0.42) ALPLKMT2AMAPTALDH1A1MEN1
SCHEMBL4878959 0.89 ALPL (0.40) ALPLALPIKMT2ACYP19A1MAPT
SCHEMBL4878918 0.87 CHRM2 (0.53) ALPLALPIKMT2ACYP19A1MAPT
SCHEMBL4001032 0.82 ALDH1A1 (0.41) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL4057724 0.78 LMNA (0.43) KMT2ACYP19A1MAPTALDH1A1MEN1
SCHEMBL4885736 0.77 MAPT (0.40) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL4881541 0.77 MAPT (0.43) ALPLKMT2AMAPTALDH1A1MEN1
SCHEMBL4878565 0.77 MAPT (0.60) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL4002446 0.76 CHRM2 (0.59) KMT2AMAPTALDH1A1MEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016042-A1 PROCESS FOR PREPARING TOLTERODINE OR ITS SALT AND SYNTHETIC INTERMEDIATE Estechpharma Co. Ltd. (KR) 2009-01-21 EP disclosed
WO-2007126217-A1 PROCESS FOR PREPARING TOLTERODINE OR ITS SALT AND SYNTHETIC INTERMEDIATE ESTECHPHARMA CO., LTD. (KR) 2007-11-08 WO disclosed