SCHEMBL28080862

SCHEMBL28080862

COc1ccc(Cn2cc(I)c(C(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CMA1 P23946 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
AADAT Q8N5Z0 1/20 0.41
CYP19A1 P11511 2/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SLC6A4 P31645 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL370456 0.89 AADAT (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6034971 0.81 HTR2C (0.40) NPC1RAB9AALDH1A1MAPTCYP19A1
SCHEMBL369874 0.81 AADAT (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL29339707 0.79 MEN1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL370625 0.79 MEN1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17723845 0.79 KDM1A (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL370819 0.78 CMA1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL20226401 0.77 HSP90AA1 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL21420053 0.77 HSP90AA1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL19716279 0.77 MEN1 (0.47) MEN1KMT2ANPC1RAB9AKDM4E

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-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 CN disclosed