SCHEMBL4719052

SCHEMBL4719052

COc1cc(Cl)c(-n2nc(-c3cc(C)cc(-c4cnco4)c3)c3ccccc3c2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
IMPDH2 P12268 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4721167 0.90 NPSR1 (0.43) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4720165 0.89 NPSR1 (0.43) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4722814 0.81 MEN1 (0.36) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4722543 0.80 MEN1 (0.43) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4721827 0.78 PDE4A (0.35) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4723938 0.78 MEN1 (0.34) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4723628 0.78 MEN1 (0.36) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4722512 0.74 NPSR1 (0.38) NPSR1MEN1KMT2APDE4APDE4B
SCHEMBL4719701 0.74 GAA (0.41) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4719884 0.73 L3MBTL1 (0.36) NPSR1MEN1KMT2APDE4APDE4B

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