SCHEMBL6938688

SCHEMBL6938688

Cc1cc(N=Nc2ccccc2C(=CC(=O)N(C(C)C)C(C)C)c2ccccc2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 6/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
PSMD14 O00487 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
THRB P10828 1/20 0.44
MYC P01106 1/20 0.42
IDE P14735 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
BRD4 O60885 5/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6938685 1.00 KMT2A (0.44) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL6936620 0.83 P2RX7 (0.34) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL6936619 0.83 P2RX7 (0.34) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL6937667 0.77 MAPT (0.55) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL6937668 0.77 MAPT (0.55) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL21067348 0.76 KMT2A (0.71) KMT2AMAPTMEN1NPSR1GAA
SCHEMBL10316745 0.73 CSNK2A1 (0.45) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL10316746 0.73 CSNK2A1 (0.45) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL10355817 0.73 CSNK2A1 (0.45) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL6934690 0.72 MAPT (0.46) KMT2AMAPTGAATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed