SCHEMBL18065732

SCHEMBL18065732

CN(CCCCNN)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.62
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
PRMT8 Q9NR22 1/20 0.58
APP P05067 3/20 0.55
ACHE P22303 4/20 0.53
TMEM97 Q5BJF2 4/20 0.53
BCHE P06276 2/20 0.52
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
KDM4A O75164 2/20 0.50
KDM4C Q9H3R0 2/20 0.50

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
SCHEMBL17705682 0.87 CARM1 (0.63) SIGMAR1CARM1PRMT6PRMT8APP
SCHEMBL29733117 0.83 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8ACHE
SCHEMBL7225346 0.83 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8ACHE
SCHEMBL15966154 0.83 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8APP
SCHEMBL15966146 0.83 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8APP
SCHEMBL15966156 0.83 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8APP
SCHEMBL1088446 0.81 SIGMAR1 (0.74) SIGMAR1CARM1PRMT6PRMT8ACHE
SCHEMBL4604745 0.80 CARM1 (0.75) SIGMAR1CARM1PRMT6PRMT8ACHE
Hydrochloric Acid SCHEMBL1087168 0.79 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8ACHE
SCHEMBL15783060 0.79 SIGMAR1 (0.57) SIGMAR1CARM1PRMT6PRMT8APP

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
US-9439968-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed