SCHEMBL15529333

SCHEMBL15529333

NC(=O)c1c(-c2ccc(O)cc2)ccnc1NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ STAT6 P42226 2/20 0.48
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RAB9A P51151 2/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ APP P05067 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ESR1 P03372 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
SCHEMBL15529130 0.90 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL15529231 0.86 MAPT (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL27668372 0.75 F2 (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDSTAT6
SCHEMBL3716881 0.72 MAPT (0.70) KDM4ESMN1; SMN2ALDH1A1HPGDSTAT6
SCHEMBL1585596 0.71 KLKB1 (0.51) MEN1KMT2ANPC1AURKARPS6KB1
SCHEMBL15529237 0.71 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL18979185 0.68 MEN1 (0.86) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15529196 0.68 MEN1 (0.86) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7139105 0.68 RPS6KB1 (0.49) APPAURKARPS6KB1
SCHEMBL23827644 0.67 NUDT1 (0.44) STAT6MEN1KMT2AHTTESR1

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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