SCHEMBL29520683

SCHEMBL29520683

Nc1cccc(Oc2cc(Oc3cccc(N)c3)cc(Oc3cccc(N)c3)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.78
ALDH1A1 P00352 4/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MITF O75030 1/20 0.67
GAA P10253 1/20 0.67
GFER P55789 1/20 0.67
NLRP1 Q9C000 1/20 0.67
NOD2 Q9HC29 1/20 0.67
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.61
CYP3A4 P08684 3/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NLRP3 Q96P20 1/20 0.57
ATM Q13315 1/20 0.55
TP53 P04637 1/20 0.54
CASP1 P29466 1/20 0.52

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
SCHEMBL2440288 1.00 MAOB (0.78) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL29363406 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL1271035 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL29436313 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL6289536 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL6289774 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL4455312 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL310904 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL84301 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL29907059 0.97 MAOB (0.82) MAOBALDH1A1MAPTMEN1KMT2A

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
WO-2022054552-A1 POLYMETALLOXANE-CONTAINING COMPOSITION, CURED BODY, MEMBER, ELECTRONIC COMPONENT, AND FIBER 東レ株式会社 2022-03-17 WO disclosed