SCHEMBL3911490

SCHEMBL3911490

O=C(O)C1CNc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 3/20 0.48
GAPDH P04406 2/20 0.48
HSPA1A P0DMV8 2/20 0.48
PTPN7 P35236 2/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PLA2G1B P04054 1/20 0.48
MIF P14174 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
EDNRB P24530 1/20 0.37
EDNRA P25101 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
SCHEMBL14885415 0.87 PRKAB2 (0.42) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL28408792 0.83 KMT2A (0.36) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL1161682 0.81 PRKAB2 (0.40) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL4746812 0.80 PRKAB2 (0.39) TDP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3906697 0.80 CDC25B (0.48) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL24456950 0.80 PARP10 (0.43) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL3986151 0.78 EPHX2 (0.37) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL15545052 0.77 P2RX4 (0.39) KMT2AMEN1POLBGAPDHHSPA1A
SCHEMBL3749345 0.76 HSPA1A (0.51) HSPA1APTPN7TDP1CYP1A2MAPT
SCHEMBL5800011 0.75 ALDH1A1 (0.57) HSPA1APTPN7TDP1PRKAB2PRKAG1

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-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP claimed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed