SCHEMBL13759342

SCHEMBL13759342

CCCN(CCC)c1nc(OCCc2ccccn2)cc(C(=O)Oc2ccc3[nH]ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
OPRK1 P41145 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL14530048 0.85 NPC1 (0.42) MAPTNPC1RAB9A
SCHEMBL13759343 0.80 CTNNB1 (0.40) MAOACTNNB1WNT3AMAPTNPC1
SCHEMBL424723 0.78 PIK3CA (0.46) HSD17B10PDGFRBPDGFRA
SCHEMBL14530433 0.74 KDR (0.45) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL14530434 0.72 GRM5 (0.45) MAPTNPC1RAB9AHPGDHSD17B10
SCHEMBL14530436 0.72 NPC1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL14530050 0.72 NPC1 (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14530437 0.71 HRH1 (0.38) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL14530473 0.70 GAA (0.41) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14530435 0.70 PABPC1 (0.45) MAPTMEN1KMT2AALDH1A1NPC1

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 WO disclosed