SCHEMBL2009745

SCHEMBL2009745

Cc1nc(-c2ccc(O)c(C=O)c2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 4/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.52
ERN1 O75460 6/20 0.50
XDH P47989 3/20 0.48
TARBP2 Q15633 2/20 0.48
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL9278447 0.86 ERN1 (0.55) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL454793 0.84 CDC7 (0.59) KDM4EALDH1A1KMT2A
SCHEMBL29627451 0.84 CDC7 (0.59) KDM4EALDH1A1KMT2A
SCHEMBL12095197 0.82 ERN1 (0.58) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL27795018 0.81 RAB9A (0.56) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL12454256 0.81 ERN1 (0.42) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867920 0.80 RAB9A (0.61) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL15130562 0.79 ERN1 (0.47) ERN1
SCHEMBL12970384 0.79 RAB9A (0.60) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL1356995 0.78 XDH (0.70) RAB9AKDM4EGAASMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110824067-B Method for detecting genotoxic impurities in febuxostat 天津药物研究院有限公司 2024-12-27 CN claimed
CN-111499593-A Synthesis process of febuxostat 峨眉山宏昇药业股份有限公司 2020-08-07 CN disclosed
WO-2012073259-A1 NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT INDOCO REMEDIES LIMITED (IN) 2012-06-07 WO disclosed
WO-2011073617-A1 PROCESSES FOR THE PREPARATION OF FEBUXOSTAT AND SALTS THEREOF CIPLA LIMITED (IN) 2011-06-23 WO disclosed
WO-2011066803-A1 PREPARATION METHOD OF INTERMEDIATE OF FEBUXOSTAT 重庆医药工业研究院有限责任公司 (CN) 2011-06-09 WO disclosed