SCHEMBL9874252

SCHEMBL9874252

Nc1ccc(Oc2ccc(Oc3cccc(S(=O)(=O)c4ccccc4)c3Oc3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
HTR6 P50406 3/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
MMP3 P08254 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
SOS1 Q07889 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9422355 0.99 HTR6 (0.47) MAOAHTR6NCOA1NCOA3MMP2
SCHEMBL10709549 0.91 HTR6 (0.50) HTR6MMP2MMP9MMP8MMP12
SCHEMBL9067458 0.90 HTR6 (0.43) MAOAHTR6NCOA1NCOA3MMP2
SCHEMBL9494015 0.88 HTR6 (0.53) HTR6MMP2MMP9MMP8MMP12
SCHEMBL30016251 0.88 NCOA1 (0.44) MAOAHTR6NCOA1NCOA3SMN1; SMN2
SCHEMBL28394438 0.88 NCOA1 (0.44) MAOAHTR6NCOA1NCOA3SMN1; SMN2
SCHEMBL5831246 0.87 HTR6 (0.56) MAOAHTR6NCOA1NCOA3MMP2
SCHEMBL2159027 0.85 MAOB (0.49) HTR6HTTALDH1A1GAAMAPT
SCHEMBL14062243 0.84 HTR6 (0.58) HTR6MMP2MMP9MMP8MMP12
SCHEMBL14060647 0.84 HTR6 (0.46) HTR6MMP2MMP9MMP8MMP12

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-5070163-A MATRIX RESIN FOR PRODUCTION OF COMPOSITES CIBA-GEIGY CORPORATION (US) 1991-12-03 US disclosed