SCHEMBL4035492

SCHEMBL4035492

COc1cccc(NCc2ccc3cccc(O)c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ ECE2 P0DPD6 1/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ NOS1 P29475 1/20 0.48
▸ PDE10A Q9Y233 6/20 0.45
▸ PDE4D Q08499 2/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL4037167 0.91 NOS1 (0.47) KMT2AMEN1NPC1HSP90AA1ECE2
SCHEMBL27768647 0.81 MEN1 (0.51) KMT2AMEN1NPC1HSP90AA1ECE2
SCHEMBL22497090 0.81 NOS1 (0.56) KMT2AMEN1NOS1MTNR1AMTNR1B
SCHEMBL30093244 0.81 NOS1 (0.56) KMT2AMEN1NOS1MTNR1AMTNR1B
SCHEMBL4040211 0.79 MEN1 (0.49) KMT2AMEN1NPC1ECE2AGTR1
SCHEMBL27912688 0.74 MAPT (0.66) KMT2AMEN1MTNR1AMTNR1BKDM4E
SCHEMBL12834058 0.74 KDM4E (0.50) KMT2AMEN1NPC1PDE10APDE4D
SCHEMBL7586344 0.73 MEN1 (0.48) KMT2AMEN1NPC1HSP90AA1ECE2
SCHEMBL9071991 0.72 KMT2A (0.52) KMT2AMEN1NPC1HSP90AA1NOS1
SCHEMBL8516691 0.72 PDE10A (0.52) KMT2AMEN1NPC1HSP90AA1ECE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 — — CN claimed
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 — — CN disclosed
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
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 — — WO disclosed
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