SCHEMBL11623938

SCHEMBL11623938

CC1=CC(=O)C(NC(N)=O)=CC1=Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.36
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ BACE1 P56817 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GFER P55789 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
SCHEMBL11410978 0.90 PABPC1 (0.37) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL11321519 0.85 PABPC1 (0.52) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL11629876 0.82 PABPC1 (0.43) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL11626864 0.81 PABPC1 (0.41) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL11305871 0.81 PABPC1 (0.34) PABPC1NPC1RAB9AMAPTKDM4E
SCHEMBL11717494 0.81 PABPC1 (0.39) PABPC1NPC1RAB9AKMT2AKDM4E
SCHEMBL11721046 0.80 PABPC1 (0.39) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL260979 0.78 ALDH1A1 (0.40) PABPC1NPC1RAB9AKMT2AMAPT
SCHEMBL11629500 0.78 BACE1 (0.33) NPC1RAB9AKMT2AKDM4EGAA
SCHEMBL11330897 0.74 PABPC1 (0.53) PABPC1NPC1RAB9AKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093806-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-4046786-A HAIR DYES L'OREAL (FR) 1977-09-06 — — US disclosed
Send feedback