SCHEMBL9245264

SCHEMBL9245264

COc1cc(S(c2ccc(Oc3cccc(N)c3)cc2)=S(c2cc(OC)c(Oc3cccc(N)c3)c(OC)c2)c2cc(OC)c(Oc3cccc(N)c3)c(OC)c2)cc(OC)c1Oc1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
CYP19A1 P11511 2/20 0.40
ATM Q13315 1/20 0.40
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5604090 0.80 MAOB (0.49) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL8732449 0.78 ALDH1A1 (0.55) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL30323672 0.77 ALDH1A1 (0.73) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL10687980 0.77 ALDH1A1 (0.73) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL5603440 0.77 ALDH1A1 (0.53) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL29352463 0.74 MAOB (0.86) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL29363390 0.74 MAOB (0.86) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL128748 0.74 MAOB (0.86) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL204267 0.74 MAOB (0.86) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL1270913 0.74 MAOB (0.86) MAOBSMN1; SMN2ALDH1A1CYP3A4MAPT

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
EP-0661347-A1 Polyimide resin composition having excellent fatigue resistance and injection molded article of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-07-05 EP disclosed