SCHEMBL4781509

SCHEMBL4781509

CN(C)Cc1nc(C(=O)c2ccccc2)no1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 7/20 0.42
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10992292 0.86 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHTTMAPK1
Fumaric Acid SCHEMBL10926982 0.82 NPC1 (0.40) ALDH1A1TSHRLMNAHTTMAPK1
Maleic Acid SCHEMBL10926977 0.82 NPC1 (0.40) ALDH1A1TSHRLMNAHTTMAPK1
SCHEMBL3853732 0.81 KDM4E (0.44) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL10925378 0.80 KMT2A (0.44) ALDH1A1KMT2AMEN1NPC1HPGD
SCHEMBL10925296 0.78 ATM (0.39) ALDH1A1TSHRMAPK1KMT2AMEN1
SCHEMBL10992668 0.77 MAPT (0.50) ALDH1A1TSHRLMNAKMT2ANPC1
SCHEMBL10926602 0.75 NPC1 (0.56) ALDH1A1TSHRLMNAHTTMAPK1
SCHEMBL1324894 0.74 POLB (0.48) ALDH1A1TSHRLMNAHTTNPSR1
SCHEMBL4726217 0.73 MEN1 (0.40) ALDH1A1TSHRLMNAHTTKMT2A

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
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 — — WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 — — WO disclosed
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