SCHEMBL8432201

SCHEMBL8432201

Cc1c(N)c(C)c(CCO)c(N)c1CCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7521032 0.80 TDP1 (0.30)
SCHEMBL9791500 0.75 KDM4E (0.30) KDM4E
SCHEMBL9875892 0.74 ALDH1A1 (0.37) ALDH1A1TSHRHTTKDM4E
SCHEMBL27609624 0.72 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL27442525 0.72 ALDH1A1 (0.35) CHEK1ALDH1A1HTTKDM4E
SCHEMBL13698320 0.72
SCHEMBL11322989 0.72 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL5187756 0.70 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL3654750 0.69 ALDH1A1 (0.34) ALDH1A1TSHRHTTKDM4E
SCHEMBL9791520 0.69 TLR8 (0.33) KDM4E

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
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 EP disclosed