SCHEMBL23486830

SCHEMBL23486830

O=CNc1cc(Cl)ccc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ALPL P05186 1/20 0.31
GPR35 Q9HC97 2/20 0.31
IDO1 P14902 1/20 0.31
PPOX P50336 1/20 0.30
GRIK1 P39086 1/20 0.30

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
SCHEMBL23486676 0.81 KDM4E (0.37) ALDH1A1ALPLGPR35PPOX
Hydrochloric Acid SCHEMBL28562276 0.79 KDM4E (0.36) ALDH1A1ALPLPPOX
SCHEMBL8324615 0.79 PABPC1 (0.38) ALDH1A1
SCHEMBL6182655 0.78 GPR35 (0.39) ALDH1A1ALPLGPR35GRIK1
SCHEMBL3633061 0.78 XDH (0.51) XDHALDH1A1MAPTALPLIDO1
SCHEMBL23466530 0.77 PTPN1 (0.40) ALDH1A1ALPLGPR35GRIK1
SCHEMBL1307860 0.76 GPR35 (0.56) GPR35
SCHEMBL23486755 0.75 NPC1 (0.38) ALDH1A1MAPT
SCHEMBL1308040 0.75 MEN1 (0.47) ALDH1A1MAPTALPLGPR35
SCHEMBL23466623 0.75 GPR35 (0.39) ALDH1A1MAPTALPLGPR35GRIK1

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
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed