SCHEMBL7046355

SCHEMBL7046355

CCOC(=O)N1CCC(Nc2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)CC1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NCCS(=O)(=O)O)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK1 P28482 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
SCHEMBL5037634 0.94 MAPT (0.45) MAPTLMNAKMT2AKDM4EHTT
SCHEMBL5033420 0.87 SMN1; SMN2 (0.46) ENPP3ENPP1ENPP2SMN1; SMN2TDP1
SCHEMBL7044917 0.86 SMN1; SMN2 (0.41) MAPTENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5033476 0.84 PDE3B (0.44) MAPTLMNAKDM4EENPP3ENPP1
SCHEMBL5033734 0.83 SMN1; SMN2 (0.45) MAPTENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036004 0.83 SMN1; SMN2 (0.48) ENPP3ENPP1ENPP2SMN1; SMN2TDP1
SCHEMBL5042870 0.81 ENPP3 (0.48) ENPP3ENPP1ENPP2SMN1; SMN2TDP1
SCHEMBL5037697 0.81 SMN1; SMN2 (0.47) MAPTENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5042885 0.81 SMN1; SMN2 (0.47) ENPP3ENPP1ENPP2SMN1; SMN2TDP1
SCHEMBL5040732 0.81 SMN1; SMN2 (0.42) MAPTKMT2AENPP3ENPP1ENPP2

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-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed