SCHEMBL13455

SCHEMBL13455

Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
IP6K1 Q92551 3/20 0.45
SLC6A9 P48067 1/20 0.43
LPAR1 Q92633 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 2/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
NPC1 O15118 1/20 0.40
PTGS1 P23219 1/20 0.40
TDO2 P48775 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL13426 0.86 LMNA (0.42) MAPTPTPN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL11897018 0.85 SMN1; SMN2 (0.49) L3MBTL1SLC6A9LPAR1MAPTKDM4E
SCHEMBL14792978 0.85 PLA2G2A (0.46) L3MBTL1IP6K1SLC6A9LPAR1MAPT
SCHEMBL5776962 0.84 NR4A2 (0.51) L3MBTL1IP6K1SLC6A9LPAR1MAPT
SCHEMBL18597840 0.82 LPAR1 (0.50) IP6K1SLC6A9LPAR1MAPTALDH1A1
SCHEMBL14792983 0.80 ALDH1A1 (0.46) L3MBTL1IP6K1SLC6A9LPAR1MAPT
SCHEMBL5773143 0.79 FFAR4 (0.51) SLC6A9MAPTKDM4EGAAPTPN1
SCHEMBL13435 0.77 BRD4 (0.43) L3MBTL1IP6K1SLC6A9LPAR1MAPT
SCHEMBL3075233 0.77 ALDH1A1 (0.48) L3MBTL1SLC6A9LPAR1MAPTKDM4E
SCHEMBL14792982 0.77 BRD4 (0.40) L3MBTL1SLC6A9MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed