SCHEMBL27795018

SCHEMBL27795018

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
XDH P47989 6/20 0.51
ALDH1A1 P00352 2/20 0.49
TARBP2 Q15633 2/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
CHRM1 P11229 1/20 0.48
PDE4A P27815 1/20 0.48
BLVRB P30043 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27838195 0.86 CDC7 (0.57) KDM4EGAAALDH1A1KMT2A
SCHEMBL31534636 0.86 CDC7 (0.57) KDM4EGAAALDH1A1KMT2A
SCHEMBL12133611 0.81 XDH (0.68) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL2009745 0.81 RAB9A (0.59) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867920 0.77 RAB9A (0.61) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL12095197 0.76 ERN1 (0.58) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL12970384 0.76 RAB9A (0.60) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL438271 0.75 XDH (0.68) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL21156699 0.74 RAB9A (0.69) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL2011167 0.74 RAB9A (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN claimed
CN-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN disclosed
CN-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN disclosed
CN-102964313-B Synthetic method of febuxostat ZHOU GUANGLIAN 2015-04-29 CN disclosed
CN-101665471-B Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2011-08-10 CN disclosed
CN-101665471-A Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2010-03-10 CN disclosed