SCHEMBL4037167

SCHEMBL4037167

COc1cccc(CNCc2ccc3cccc(O)c3n2)c1.COc1cccc(NCc2ccc3cccc(O)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.47
▸ MCHR1 Q99705 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ ECE2 P0DPD6 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ MEF2D Q14814 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
SCHEMBL27768647 0.92 MEN1 (0.51) MCHR1MEN1KMT2ANPC1HSP90AA1
SCHEMBL4035492 0.91 KMT2A (0.50) NOS1MEN1KMT2ANPC1HSP90AA1
SCHEMBL4040533 0.82 MEN1 (0.49) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL28033926 0.75 PKM (0.49) KMT2ANPC1HIF1AHDAC1HDAC2
SCHEMBL22497090 0.74 NOS1 (0.56) NOS1MEN1KMT2AHDAC1MAPT
SCHEMBL30093244 0.74 NOS1 (0.56) NOS1MEN1KMT2AHDAC1MAPT
SCHEMBL24097464 0.74 MAPT (0.68) NOS1MEN1KMT2ANPC1HIF1A
SCHEMBL4040211 0.72 MEN1 (0.49) MEN1KMT2ANPC1ECE2AGTR1
SCHEMBL6695006 0.71 MAPT (0.68) NOS1MEN1KMT2ANPC1HIF1A
SCHEMBL1134127 0.71 CHRM2 (0.74) MEN1KMT2AHDAC1HDAC2HTR2A

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-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 — — EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 — — WO disclosed
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