SCHEMBL4036981

SCHEMBL4036981

CCSCc1cccc(-c2onc(C)c2NC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
LPAR1 Q92633 4/20 0.44
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 2/20 0.44
PKM P14618 1/20 0.41
SENP1 Q9P0U3 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
BRD4 O60885 2/20 0.35
BCL2 P10415 1/20 0.35
FTO Q9C0B1 1/20 0.35
HDAC1 Q13547 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4033847 0.89 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4028419 0.86 LPAR1 (0.51) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4031711 0.83 MAPT (0.51) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4032632 0.82 LPAR1 (0.47) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4032711 0.81 LPAR1 (0.48) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4031248 0.81 LPAR1 (0.69) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4034651 0.79 LPAR1 (0.41) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4030049 0.79 MAPT (0.60) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4034814 0.79 MAPT (0.53) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL4029811 0.77 LPAR1 (0.57) MAPTKDM4ELPAR1LPAR3LPAR2

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