SCHEMBL7659576

SCHEMBL7659576

COCCOc1ccc(CCNC(=O)C=Cc2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX5 P09917 1/20 0.52
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NDUFS8 O00217 1/20 0.49
COXFA4 O00483 1/20 0.49
NDUFAB1 O14561 1/20 0.49
NDUFA1 O15239 1/20 0.49
NDUFS4 O43181 1/20 0.49

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
SCHEMBL7659572 1.00 MAPT (0.62) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL7111646 0.89 MAPT (0.74) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL7111643 0.89 MAPT (0.74) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL4702198 0.88 KMT2A (0.48) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL4702189 0.88 KMT2A (0.48) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL7116251 0.87 MAPT (0.57) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL7116255 0.87 MAPT (0.57) MAPTMAOAMAOBALDH1A1ALOX5
SCHEMBL4703089 0.85 POLB (0.50) MAPTALDH1A1POLBKDM4ELMNA
SCHEMBL4703090 0.85 POLB (0.50) MAPTALDH1A1POLBKDM4ELMNA
SCHEMBL7109588 0.85 MAPT (0.55) MAPTMAOAMAOBALDH1A1ALOX5

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
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed