SCHEMBL28523920

SCHEMBL28523920

CCC(C)(C)c1ccc(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 2/20 0.38
ESR1 P03372 2/20 0.38
AR P10275 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD1 P21728 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 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
SCHEMBL1264030 0.89 CYP3A4 (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL30157198 0.89 CYP3A4 (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL1264031 0.87 CNR1 (0.42) NPC1RAB9ALMNACNR1CNR2
SCHEMBL351147 0.87 NPC1 (0.46) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL29814292 0.87 NPC1 (0.46) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL6661480 0.85 NPC1 (0.57) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL29567315 0.83 NPC1 (0.38) NPC1RAB9AMAPTATMKDM4E
SCHEMBL382056 0.83 NPC1 (0.38) NPC1RAB9AMAPTATMKDM4E
SCHEMBL13767789 0.82 NPC1 (0.37) NPC1RAB9AMAPTCYP3A4ATM
SCHEMBL11418479 0.81 NPC1 (0.51) NPC1RAB9ALMNAMAPTSMN1; SMN2

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-109475799-B Filter medium and air cleaning device using the same 松下知识产权经营株式会社 2021-01-19 CN disclosed