SCHEMBL21974789

SCHEMBL21974789

Cc1ccc(Oc2nc(-c3cccnc3)nc3cc[nH]c23)cc1NC=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PIKFYVE Q9Y2I7 7/20 0.40
▸ PDE5A O76074 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL21975122 0.82 RAB9A (0.41) RAB9AMAPTPOLBNPSR1ADORA3
SCHEMBL21975695 0.72 MAPT (0.34) MAPTMEN1GAAKMT2AMAPK1
SCHEMBL21974937 0.71 MEN1 (0.38) MAPTADORA3MEN1ALDH1A1KMT2A
SCHEMBL21975143 0.70 MAPT (0.40) MAPTPOLBNPSR1GAAMAPK1
SCHEMBL21975713 0.69 PARP10 (0.38) RAB9APOLBNPSR1MEN1ALDH1A1
SCHEMBL21975712 0.68 ALDH1A1 (0.38) RAB9APOLBNPSR1MEN1ALDH1A1
SCHEMBL21974999 0.67 RAB9A (0.43) RAB9AMAPTPOLBNPSR1MEN1
SCHEMBL21975670 0.67 MAPT (0.40) RAB9AMAPTPOLBNPSR1MEN1
SCHEMBL21974791 0.67 MAPT (0.44) RAB9AMAPTPOLBNPSR1MEN1
SCHEMBL21975659 0.66 MAPT (0.37) MAPTPOLBNPSR1MEN1KMT2A

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-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 — — EP disclosed
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