SCHEMBL4031859

SCHEMBL4031859

CCSCc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.51
LPAR3 Q9UBY5 4/20 0.51
LPAR2 Q9HBW0 2/20 0.51
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4033577 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034953 0.91 LPAR1 (0.52) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4030949 0.91 LPAR1 (0.53) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4031244 0.90 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032135 0.89 LPAR1 (0.49) LPAR1LPAR3LPAR2KMT2AKDM4E
SCHEMBL4033590 0.88 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL4034499 0.88 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4031276 0.88 LPAR1 (0.46) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034108 0.86 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034918 0.86 LPAR1 (0.45) LPAR1LPAR3LPAR2S1PR1S1PR3

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