SCHEMBL4031792

SCHEMBL4031792

Cc1noc(-c2ccc(CNCCc3ccccn3)cc2)c1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
LPAR1 Q92633 4/20 0.45
TDP1 Q9NUW8 2/20 0.44
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
CD274 Q9NZQ7 1/20 0.42
HTR5A P47898 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 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
SCHEMBL4032063 0.91 LPAR1 (0.47) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4035059 0.83 ALDH1A1 (0.51) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4028370 0.82 LPAR1 (0.67) KDM4EMAPTLPAR1TDP1LPAR3
SCHEMBL4038441 0.82 HDAC1 (0.50) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4029454 0.81 MAPT (0.46) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4037667 0.79 LPAR1 (0.48) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4030241 0.76 LPAR1 (0.42) KDM4ELPAR1TDP1LPAR3LPAR2
SCHEMBL4029548 0.75 ATM (0.57) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4034023 0.74 LPAR1 (0.53) KDM4EMAPTLPAR1LPAR3LPAR2
SCHEMBL4028843 0.74 LPAR1 (0.70) KDM4EMAPTLPAR1LPAR3LPAR2

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