SCHEMBL4724434

SCHEMBL4724434

O=c1c2ccccc2c(-c2cc(Br)cc(-c3cnco3)c2)nn1-c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 10/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
P2RY1 P47900 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL4719701 0.93 GAA (0.41) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4722543 0.89 MEN1 (0.43) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4722439 0.87 MEN1 (0.43) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4724658 0.87 NPSR1 (0.43) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4719649 0.85 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4718794 0.85 NPSR1 (0.47) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4721402 0.84 MAPT (0.49) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4719385 0.83 GAA (0.54) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4723973 0.83 NPSR1 (0.49) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4722686 0.82 NPSR1 (0.65) MEN1KMT2ANPSR1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed