SCHEMBL4720165

SCHEMBL4720165

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(Cl)cc(O)cc3Cl)c(=O)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.35
P2RY1 P47900 1/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL4721167 0.91 NPSR1 (0.43) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4719052 0.89 NPSR1 (0.42) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4722814 0.82 MEN1 (0.36) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4722543 0.82 MEN1 (0.43) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4721827 0.80 PDE4A (0.35) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4723628 0.79 MEN1 (0.36) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4723938 0.79 MEN1 (0.34) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4722512 0.76 NPSR1 (0.38) NPSR1MEN1KMT2AGAAKDM4E
SCHEMBL4719701 0.76 GAA (0.41) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4719884 0.74 L3MBTL1 (0.36) NPSR1MEN1KMT2AGAAKDM4E

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