SCHEMBL17629243

SCHEMBL17629243

Cc1nc(-c2ccc(O)c([N+](=O)[O-])c2)sc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
KDM4E B2RXH2 4/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 4/20 0.51
THRA P10827 3/20 0.51
ALDH1A1 P00352 2/20 0.50
XDH P47989 3/20 0.47
TARBP2 Q15633 2/20 0.46
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
BLVRB P30043 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL17629244 1.00 RAB9A (0.67) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL460614 0.85 CDC7 (0.57) RAB9AKDM4ETHRBTHRAALDH1A1
SCHEMBL8867791 0.84 RAB9A (0.62) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8868068 0.82 RAB9A (0.65) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867787 0.82 RAB9A (0.59) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867941 0.82 RAB9A (0.59) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867848 0.82 XDH (0.66) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867718 0.80 RAB9A (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867457 0.80 THRA (0.59) RAB9AKDM4EGAASMN1; SMN2POLB
SCHEMBL8867462 0.79 RAB9A (0.56) 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-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN disclosed
WO-2016046836-A3 A NOVEL PROCESS FOR PREPARATION OF ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYL-5-THIAZOLECARBOXYLATE EXCEL INDUSTRIES LTD. (IN) 2016-05-12 WO disclosed
WO-2016046836-A3 A NOVEL PROCESS FOR PREPARATION OF ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYL-5-THIAZOLECARBOXYLATE EXCEL INDUSTRIES LTD. (IN) 2016-05-12 WO disclosed
WO-2016046836-A2 A NOVEL PROCESS FOR PREPARATION OF ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYL-5-THIAZOLECARBOXYLATE EXCEL INDUSTRIES LTD. (IN) 2016-03-31 WO disclosed
WO-2016046836-A2 A NOVEL PROCESS FOR PREPARATION OF ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYL-5-THIAZOLECARBOXYLATE EXCEL INDUSTRIES LTD. (IN) 2016-03-31 WO disclosed