SCHEMBL29693276

SCHEMBL29693276

ON=CNc1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 10/20 0.45
TSHR P16473 1/20 0.45
FDPS P14324 1/20 0.44
RAB9A P51151 12/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
PLAU P00749 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL7940966 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL750239 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL750240 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL28797374 0.78 EDNRA (0.31)
SCHEMBL28797376 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPC1TSHRFDPS
SCHEMBL18076854 0.78 TRPA1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3332148 0.78
SCHEMBL29693285 0.78 EDNRA (0.31)
SCHEMBL29693275 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPC1TSHRFDPS
SCHEMBL18076852 0.78 TRPA1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2KDM4E

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