SCHEMBL15528908

SCHEMBL15528908

CCOc1ccc(-c2ccnc(Nc3ccccc3)c2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CACNA2D1 P54289 1/20 0.43
▸ ENPP3 O14638 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ PKM P14618 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL15529231 0.83 MAPT (0.50) MAPTSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL15529237 0.81 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL1741960 0.72 MET (0.51) —
SCHEMBL1742630 0.71 MET (0.47) MAPTSMN1; SMN2TP53CACNA2D1FGFR1
SCHEMBL18979213 0.70 MEN1 (0.78) MAPTSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL15528907 0.70 MEN1 (0.78) MAPTSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL4966792 0.69 BCAT2 (0.59) MAPTSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL1533660 0.68 NTRK1 (0.43) MEN1KMT2AGAAPOLB
SCHEMBL3440767 0.68 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9479637 0.68 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846803-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF Anvyl, LLC (US) 2015-03-18 — — EP disclosed
WO-2013169889-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL LLC (US) 2013-11-14 — — WO disclosed
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