SCHEMBL4723938

SCHEMBL4723938

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(Cl)cc(F)cc3Cl)c(=O)c3ncccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 3/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CCR9 P51686 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TACR1 P25103 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
PIK3R2 O00459 1/20 0.30

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
SCHEMBL4722814 0.95 MEN1 (0.36) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL4721827 0.92 PDE4A (0.35) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL4723628 0.91 MEN1 (0.36) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL4719128 0.90 L3MBTL1 (0.33) MEN1KMT2ABACE1PDE4APDE4B
SCHEMBL4724438 0.87 L3MBTL1 (0.34) MEN1KMT2ABACE1CCR9PDE4A
SCHEMBL4723604 0.85 MEN1 (0.34) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4720525 0.84 CCR9 (0.33) CCR9PDE4APDE4BPDE4CPDE4D
SCHEMBL4722829 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14101914 0.83 PDE4A (0.35) MEN1KMT2ANPSR1PDE4APDE4B
SCHEMBL4723485 0.83 MEN1 (0.39) MEN1HPGDKMT2ASMN1; SMN2NPSR1

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