SCHEMBL4032063

SCHEMBL4032063

Cc1noc(-c2ccc(CNCc3ccccn3)cc2)c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LPAR3 Q9UBY5 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LPAR2 Q9HBW0 2/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL4031792 0.91 KDM4E (0.45) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4037667 0.82 LPAR1 (0.48) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4028843 0.81 LPAR1 (0.70) LPAR1KDM4EMAPTL3MBTL1LPAR3
SCHEMBL4029548 0.80 ATM (0.57) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4029454 0.79 MAPT (0.46) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4035059 0.77 ALDH1A1 (0.51) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4035675 0.77 MAPT (0.67) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4034023 0.77 LPAR1 (0.53) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL4038441 0.76 HDAC1 (0.50) LPAR1KDM4EMAPTLPAR3KMT2A
SCHEMBL3706068 0.75 MAPT (0.52) LPAR1KDM4EMAPTLPAR3KMT2A

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed