SCHEMBL7045175

SCHEMBL7045175

CCOC(=O)C1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)CC1.NC(=O)CNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LGMN Q99538 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5036062 0.92 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2LGMN
SCHEMBL7045219 0.90 MAPT (0.39) MAPTHPGDSMN1; SMN2POLBLMNA
SCHEMBL5043029 0.87 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1ENPP3ENPP1
SCHEMBL5037647 0.84 SMN1; SMN2 (0.44) MAPTSMN1; SMN2KDM4EHSD17B10POLB
SCHEMBL5033476 0.84 PDE3B (0.44) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5035919 0.82 SMN1; SMN2 (0.44) MAPTSMN1; SMN2POLBTDP1ENPP3
SCHEMBL5036783 0.82 SMN1; SMN2 (0.44) MAPTSMN1; SMN2POLBTDP1ENPP3
SCHEMBL5033793 0.82 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1ENPP3ENPP1
SCHEMBL5037629 0.81 ABL1 (0.46) MAPTHPGDSMN1; SMN2POLBLMNA
SCHEMBL5033727 0.81 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1ENPP3ENPP1

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