SCHEMBL7844969

SCHEMBL7844969

COc1cccc(Nc2ccc(F)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.64
MTNR1A P48039 4/20 0.64
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPK1 P28482 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
PIK3CA P42336 1/20 0.56
PIK3CG P48736 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
KCNH3 Q9ULD8 1/20 0.53

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
SCHEMBL1921496 0.92 MTNR1B (0.72) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL30741237 0.89 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL2112594 0.89 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL9479511 0.89 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL30741242 0.89 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL9479608 0.89 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL1085867 0.88 MEN1 (0.71) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL1921418 0.87 MTNR1B (0.66) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL30080139 0.86 MTNR1B (0.65) MTNR1BMTNR1AMEN1KMT2AMAPK1
SCHEMBL917608 0.86 MTNR1B (0.65) MTNR1BMTNR1AMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802173-B1 Process for producing heterocylic aromatic amine or arylamine TOSOH CORP (JP) 2001-12-19 EP disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 EP disclosed