SCHEMBL22912925

SCHEMBL22912925

COc1ccc(Cn2cc3c(F)cc(Br)cc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
PDE1B Q01064 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAT2A P31153 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
DCTPP1 Q9H773 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CMA1 P23946 1/20 0.36
CYP19A1 P11511 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
SCHEMBL22912916 0.86 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5076661 0.83 ADORA3 (0.40) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL22913779 0.80 PTGS1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL25592835 0.79 MEN1 (0.45) PARK7MEN1KMT2ANPC1RAB9A
SCHEMBL23448677 0.78 AADAT (0.42) PARK7MEN1KMT2ANPC1RAB9A
SCHEMBL22912929 0.78 MAPT (0.40) PARK7MEN1KMT2ANPC1RAB9A
SCHEMBL17385333 0.77 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL662061 0.75 IDO1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16617214 0.75 NPC1 (0.36) NPC1RAB9AMAPTMAT2ALMNA
SCHEMBL27331396 0.75 ADRB2 (0.40) PARK7MEN1KMT2ANPC1RAB9A

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