SCHEMBL22422293

SCHEMBL22422293

C(#Cc1ccc(C#CCN2CCCC2)cc1)CN1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.96
HRH3 Q9Y5N1 16/20 0.62
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL18926546 0.98 LMNA (1.00) LMNAHRH3ALDH1A1
SCHEMBL3453099 0.91 LMNA (0.79) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL5730258 0.91 LMNA (0.79) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL5730065 0.90 LMNA (0.78) LMNAHRH3ALDH1A1
SCHEMBL4517684 0.88 LMNA (0.81) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL4501961 0.88 LMNA (0.81) LMNAHRH3ALDH1A1
SCHEMBL12203973 0.88 LMNA (0.81) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL14485306 0.88 LMNA (0.81) LMNAHRH3ALDH1A1
SCHEMBL5894352 0.86 LMNA (0.71) LMNAHRH3KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL5894403 0.85 LMNA (0.69) LMNAHRH3KDM4EALDH1A1GAA

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
EP-3383796-B1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RES & ENG CO (US) 2020-09-16 EP disclosed