SCHEMBL4723628

SCHEMBL4723628

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
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
CCR9 P51686 1/20 0.31
GAA P10253 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 0.96 MEN1 (0.36) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4721827 0.92 PDE4A (0.35) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4723938 0.91 MEN1 (0.34) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4723485 0.90 MEN1 (0.39) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4722898 0.90 MEN1 (0.35) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4720610 0.89 MEN1 (0.33) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4723604 0.89 MEN1 (0.34) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4719533 0.87 PDE4A (0.38) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4724438 0.87 L3MBTL1 (0.34) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4722763 0.86 CCR9 (0.33) MEN1KMT2AHPGDSMN1; 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 2 patents. 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed