SCHEMBL8977505

SCHEMBL8977505

Nc1ccc(Oc2ccc(Sc3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.Nc1cccc(Oc2ccc(Sc3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2ccc([S+]([O-])c3ccc(Oc4cccc(N)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MITF O75030 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
NLRP1 Q9C000 1/20 0.51
NOD2 Q9HC29 1/20 0.51
MAOB P27338 2/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MAOA P21397 2/20 0.42
ATM Q13315 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL309708 0.88 MAOB (0.63) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10562408 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29363354 0.85 MAOB (0.68) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL125530 0.85 MAOB (0.68) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8436142 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7803631 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8192710 0.79 MAOB (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL893940 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15876510 0.78 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9485993 0.78 CYP3A4 (0.64) ALDH1A1MAPTMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480965-A BASED ON A NOVEL DIAMINO COMPOUND DERIVED FROM BENZOPHENONE STRUCTURE; FIBER REINFORCEMENT MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0639621-A2 Polyimide-based resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-02-22 EP disclosed
EP-0565352-A2 Aromatic diamine and polyimde, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-10-13 EP disclosed