SCHEMBL28057737

SCHEMBL28057737

CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(-c2ccc(O)cc2)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
C5AR1 P21730 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL29241 0.83 NPC1 (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL29349567 0.83 NPC1 (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6325507 0.82 NPC1 (0.35) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL13567307 0.80 NPC1 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10314539 0.79 NPC1 (0.35) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL23908723 0.79 NPC1 (0.38) MAPTNPC1RAB9AHSP90AA1KDM4E
SCHEMBL6855338 0.79 NPC1 (0.38) MAPTMEN1KMT2ANPC1RAB9A
Bumetrizole SCHEMBL5194149 0.78 NPC1 (0.48) MAPTALDH1A1NPC1RAB9AHSP90AA1
SCHEMBL31252553 0.78 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL7901461 0.77 NPC1 (0.41) MAPTALDH1A1NPC1RAB9AKDM4E

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-104105715-B Chloroprene rubber composition, use the adhesive composition of this chloroprene rubber composition DENKA Co.,Ltd. (JP) 2016-05-11 CN disclosed