SCHEMBL28797376

SCHEMBL28797376

ON=CNc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
PTK2 Q05397 1/20 0.47
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
FDPS P14324 1/20 0.44
FDFT1 P37268 1/20 0.44
PKM P14618 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
STAT1 P42224 1/20 0.41

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
SCHEMBL29693275 1.00 L3MBTL1 (0.50) L3MBTL1PTK2RAB9ASMN1; SMN2NPC1
SCHEMBL18076854 0.78 TRPA1 (0.36) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL29693276 0.78 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL750239 0.78 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL18076852 0.78 TRPA1 (0.36) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL29693285 0.78 EDNRA (0.31)
SCHEMBL750240 0.78 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3332148 0.78
SCHEMBL28797374 0.78 EDNRA (0.31)
SCHEMBL7940966 0.78 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT

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
CN-114773333-A Synthesis method of halogenated triazolopyridine 上海泰坦科技股份有限公司 2022-07-22 CN disclosed