SCHEMBL10463532

SCHEMBL10463532

O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(CCCO)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.71
CA2 P00918 4/20 0.71
TBXA2R P21731 1/20 0.56
TSHR P16473 2/20 0.54
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.50
CYP19A1 P11511 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL7392876 0.86 ALDH1A1 (0.62) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL6803445 0.85 CA1 (0.77) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL7397025 0.84 ALDH1A1 (0.60) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL9328712 0.83 CA1 (0.75) CA1CA2TBXA2RMEN1ALDH1A1
SCHEMBL6801249 0.83 ALDH1A1 (0.77) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL2564566 0.82 CA1 (0.61) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL378397 0.82 TSHR (0.78) CA2TSHRALDH1A1
SCHEMBL10463570 0.82 TBXA2R (0.80) TBXA2RTSHRMEN1ALDH1A1KMT2A
SCHEMBL10462666 0.82 TBXA2R (0.60) CA1CA2TBXA2RTSHRMEN1
SCHEMBL6808541 0.80 ALDH1A1 (0.79) CA1CA2MEN1ALDH1A1KMT2A

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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed