SCHEMBL5280780

SCHEMBL5280780

COc1cc2c(cc1OC)C(C)N(CC(=O)N1c3ccccc3Sc3ccc(Cl)cc31)CC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.52
ACHE P22303 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5243083 0.93 KMT2A (0.49) BCHEACHEKMT2AALDH1A1CYP1A2
SCHEMBL5241937 0.89 BCHE (0.44) BCHEACHEKMT2AALDH1A1LMNA
SCHEMBL5350976 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL5242793 0.82 BCHE (0.54) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL5451708 0.82 MEN1 (0.57) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL5243272 0.80 SMN1; SMN2 (0.52) KMT2AALDH1A1LMNAMAPTTSHR
SCHEMBL5334834 0.77 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5451057 0.77 MEN1 (0.55) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL5272020 0.76 NOX1 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5243732 0.75 CYP3A4 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT

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-1833797-A1 AZACYCLIC COMPOUNDS AS INHBITORS OF SENSORY NEURONE SPECIFIC CHANNELS (SNS) VERNALIS (R&D) LTD (GB) 2007-09-19 EP disclosed
WO-2006082354-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS ( SNS ) VERNALIS (R & D) LIMITED (GB) 2006-08-10 WO disclosed