SCHEMBL4377829

SCHEMBL4377829

O=C(NC1CCCCn2c1nc(-c1ccncc1)cc2=O)c1cccnc1Sc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.37
KDR P35968 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 1/20 0.35
CGAS Q8N884 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4386498 0.93 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2RAB9AMEN1
SCHEMBL4385766 0.88 RAB9A (0.51) ALDH1A1HTTLMNAKDM4ERAB9A
SCHEMBL4391863 0.87 MAPT (0.40) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL4388471 0.86 KDM4E (0.47) ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL4948489 0.84 HSD11B1 (0.54) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL4391283 0.83 CYP2C9 (0.39) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4952879 0.82 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL2066118 0.80 ALDH1A1 (0.43) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL4383616 0.79 MEN1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL2066338 0.79 KCNMA1 (0.46) ALDH1A1LMNAKDM4ENPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed