SCHEMBL27584635

SCHEMBL27584635

COc1ccc(Br)cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 2/20 0.59
GLA P06280 1/20 0.59
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
WDR5 P61964 5/20 0.51
MYC P01106 1/20 0.51
ALPL P05186 2/20 0.49
MAPK1 P28482 1/20 0.49
EDNRB P24530 2/20 0.48
EDNRA P25101 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48

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
Hydrochloric Acid SCHEMBL27582675 0.98 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL17315165 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL30514814 0.83 SMN1; SMN2 (0.65) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL1790129 0.83 SMN1; SMN2 (0.65) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL47015 0.81 SMN1; SMN2 (0.64) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL29902299 0.81 SMN1; SMN2 (0.64) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL27357252 0.81 SMN1; SMN2 (0.41) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL7421633 0.81 SMN1; SMN2 (0.59) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL1137871 0.81 SMN1; SMN2 (0.59) SMN1; SMN2TSHRGLAGAAALDH1A1
SCHEMBL13297310 0.81 GSK3B (0.48) SMN1; SMN2TSHRGAAALDH1A1ALOX15

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
CN-1402643-A Integrin-mediated drug targeting BAYER AG (DE) 2003-03-12 CN disclosed