SCHEMBL4721167

SCHEMBL4721167

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(Cl)cccc3Cl)c(=O)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 3/20 0.35
PKM P14618 1/20 0.35
P2RY1 P47900 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL4720165 0.91 NPSR1 (0.43) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4722543 0.90 MEN1 (0.43) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4719052 0.90 NPSR1 (0.42) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4721827 0.88 PDE4A (0.35) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4722814 0.83 MEN1 (0.36) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4720525 0.80 CCR9 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL4720979 0.80 NPSR1 (0.43) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4719701 0.80 GAA (0.41) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4719705 0.80 BACE1 (0.33) MEN1KMT2ALMNAPKMP2RY1
SCHEMBL4723938 0.80 MEN1 (0.34) NPSR1MEN1KMT2AHPGDSMN1; SMN2

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