SCHEMBL11019640

SCHEMBL11019640

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA1 P00915 2/20 0.39

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
SCHEMBL11019646 0.93 MAPT (0.47) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL11018192 0.84 MAPT (0.48) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL11018637 0.81 ALDH1A1 (0.44) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL11020863 0.78 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL10765896 0.77 ATR (0.48) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL11018196 0.77 CHEK2 (0.51) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL11018710 0.77 CA2 (0.44) KDM4EALDH1A1SMN1; SMN2LMNACA12
SCHEMBL11018034 0.76 RHEB (0.39) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL11021552 0.76 L3MBTL1 (0.47) MAPTKDM4EALDH1A1PDE4APDE4B
SCHEMBL11017972 0.76 ALDH1A1 (0.43) KDM4EALDH1A1POLBL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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