SCHEMBL5036305

SCHEMBL5036305

C[C@@H]1CN(c2ccc(S(=O)(=O)O)cc2)C[C@H](C)O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AKR1C3 P42330 1/20 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
SCHEMBL607498 0.75 USP2 (0.58) MAPTRAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL13069950 0.75 MAPT (0.54) MAPTRAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL327800 0.74 MAPT (0.57) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL7790503 0.74 MAPT (0.57) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL24352865 0.74 MAPT (0.57) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL23731989 0.74 MAPT (0.57) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL18436831 0.74 MAPT (0.57) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL6132772 0.74 GFER (0.59) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6132774 0.74 GFER (0.59) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6132857 0.74 USP2 (0.62) MAPTRAB9APOLBSMN1; SMN2ALDH1A1

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-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 — — EP disclosed
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