SCHEMBL4034111

SCHEMBL4034111

Cc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LPAR1 Q92633 3/20 0.36
LPAR3 Q9UBY5 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 2/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NFKB1 P19838 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
SCHEMBL4033264 0.89 LPAR1 (0.40) BRD4TP53MAPTMEN1KMT2A
SCHEMBL4030980 0.87 IP6K1 (0.38) TP53MAPTLPAR1LPAR3NPSR1
SCHEMBL4031825 0.87 NPC1 (0.38) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL4034159 0.87 LPAR1 (0.44) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4029114 0.86 HDAC6 (0.40) BRD4SMN1; SMN2TP53MAPTMEN1
SCHEMBL4028121 0.85 LPAR1 (0.44) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4032476 0.83 LPAR1 (0.43) SMN1; SMN2MAPTMEN1KMT2ALPAR1
SCHEMBL4034108 0.81 LPAR1 (0.44) SMN1; SMN2MAPTMEN1KMT2ALPAR1
SCHEMBL4033561 0.81 LPAR1 (0.42) SMN1; SMN2MEN1KMT2ANPC1LPAR1
SCHEMBL25340724 0.80 HDAC4 (0.31) BRD4MEN1KMT2ALPAR1LPAR3

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