SCHEMBL9536610

SCHEMBL9536610

COc1nc(-c2ccc3ccccc3c2)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
ERN1 O75460 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
RAC1 P63000 2/20 0.41
PDGFRB P09619 1/20 0.39
CTRC Q99895 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL20719845 0.77 SLC6A2 (0.49) ALPLERN1NPC1RAB9ASMN1; SMN2
SCHEMBL9534999 0.76 RAC1 (0.44) ALPLERN1NPC1RAB9ASMN1; SMN2
SCHEMBL9534914 0.75 SLC6A2 (0.47) ALPLNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9537088 0.74 SLC22A12 (0.44) ALPLNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20719156 0.74 NPC1 (0.43) ALPLNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9535376 0.73 ALPL (0.43) ALPLERN1NPC1RAB9ASMN1; SMN2
SCHEMBL9538972 0.73 ALPL (0.44) ALPLNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12696251 0.72 ERN1 (0.48) ERN1ALDH1A1RAC1PDGFRBLMNA
SCHEMBL9533905 0.72 ALPL (0.43) ALPLERN1NPC1RAB9ASMN1; SMN2
SCHEMBL20719383 0.71 RAC1 (0.40) ALPLNPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed