SCHEMBL7044892

SCHEMBL7044892

CCOC(=O)N1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)CC1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(Nc4cccc5c(O)cccc45)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
CDC25B P30305 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL5033476 0.89 PDE3B (0.44) MAPTLMNAPDE3BPDE3ASMN1; SMN2
SCHEMBL5041056 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5037634 0.82 MAPT (0.45) MAPTLMNASMN1; SMN2KDM4EUSP2
SCHEMBL5036062 0.81 MAPT (0.43) MAPTSMN1; SMN2KDM4EUSP2HSD17B10
SCHEMBL5033494 0.81 GPR119 (0.44) MAPTLMNASMN1; SMN2ENPP3ENPP1
SCHEMBL5036504 0.80 SMN1; SMN2 (0.50) MAPTSMN1; SMN2USP2ENPP3ENPP1
SCHEMBL5036013 0.79 SMN1; SMN2 (0.44) MAPTSMN1; SMN2KDM4EUSP2HSD17B10
SCHEMBL5033454 0.79 ABL1 (0.46) SMN1; SMN2ENPP3ENPP1ENPP2BRD4
SCHEMBL5033793 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5033727 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1ENPP2

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