SCHEMBL9067458

SCHEMBL9067458

CC(C)(c1ccc(N)cc1)c1ccc(Oc2cccc(S(=O)(=O)c3ccccc3)c2Oc2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAOA P21397 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
MMP16 P51512 2/20 0.36
NR3C2 P08235 1/20 0.35

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 0.91 HTR6 (0.47) HTR6NPC1MAPTRAB9AALDH1A1
SCHEMBL9874252 0.90 MAOA (0.46) HTR6NPC1MAPTRAB9AALDH1A1
SCHEMBL10936886 0.88 ESR1 (0.44) HTR6ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9234281 0.82 HTR6 (0.45) HTR6ALDH1A1HPGDMMP2MMP9
SCHEMBL10709549 0.82 HTR6 (0.50) HTR6MAPTHTTSMN1; SMN2MMP2
SCHEMBL9494015 0.82 HTR6 (0.53) HTR6MAPTHTTSMN1; SMN2MMP2
SCHEMBL30016251 0.82 NCOA1 (0.44) HTR6NPC1MAPTRAB9AALDH1A1
SCHEMBL28394438 0.82 NCOA1 (0.44) HTR6NPC1MAPTRAB9AALDH1A1
SCHEMBL14062243 0.81 HTR6 (0.58) HTR6MAPTALDH1A1HTTMMP2
SCHEMBL5831246 0.80 HTR6 (0.56) HTR6NPC1RAB9AALDH1A1NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6322128-A None JP disclosed
US-5506311-A HEAT RESISTANCE, MELT PROCESSIBILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1996-04-09 US disclosed
US-5380805-A Polyamideimide copolymers for heat resistance and high temperature engineering polymers MITSUI TOATSU CHEMICALS, INC. (JP) 1995-01-10 US disclosed
US-5380820-A Heat resistance MITSUI TOATSU CHEMICALS, INC. (JP) 1995-01-10 US disclosed
JP-H06322128-A AROMATIC POLYAMIDEIMIDE RESIN AND RESIN COMPOSITION MITSUI TOATSU CHEM INC 1994-11-22 JP disclosed
US-5288843-A Polymerizing 4,4'-bis(3-aminophenoxy)biphenyl, pyromellitic dianhydride and a different aromaticdiamine; engineering plastics; molding mateials; aerospace; heat resistance; melt processibility MITSUI TOATSU CHEMICALS, INC. (JP) 1994-02-22 US disclosed