SCHEMBL22912929

SCHEMBL22912929

COc1ccc(Cn2cc3cc(F)c(Br)cc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DCTPP1 Q9H773 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTGS2 P35354 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PARK7 Q99497 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31104016 0.83 ADORA3 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL662061 0.81 IDO1 (0.45) MAPTMEN1KMT2ADCTPP1NPC1
SCHEMBL22913544 0.79 CACNA1G (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL22912925 0.78 PARK7 (0.41) MAPTMEN1KMT2ADCTPP1NPC1
SCHEMBL17385333 0.77 MEN1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30922327 0.77 NPC1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31728072 0.74 HCRTR2 (0.37) MAPTMEN1KMT2AGSK3AGSK3B
SCHEMBL31726716 0.74 HCRTR2 (0.37) MAPTMEN1KMT2AGSK3AGSK3B
SCHEMBL22912916 0.73 MEN1 (0.45) MAPTMEN1KMT2ADCTPP1NPC1
SCHEMBL25592835 0.73 MEN1 (0.45) MAPTMEN1KMT2ADCTPP1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929683-B Pyridine derivatives as modulators of calcium activated chloride channels 跨膜蛋白16A有限公司 2024-09-03 CN disclosed
CN-114929683-A Pyridine derivatives as calcium-activated chloride channel modulators 跨膜蛋白16A有限公司 2022-08-19 CN disclosed
EP-4003977-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed
WO-2021014172-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS Enterprise Therapeutics Limited (GB) 2021-01-28 WO disclosed