SCHEMBL2923779

SCHEMBL2923779

Cn1ccc2c(O)cc(C(=O)NCCC[N+](C)(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HASPIN Q8TF76 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
Hydrochloric Acid SCHEMBL7122876 0.99 APOBEC3A (0.39) APOBEC3AAPOBEC3GHDAC3HDAC1HASPIN
SCHEMBL23937675 0.76 TUBB4A (0.39) SMN1; SMN2
SCHEMBL7153095 0.75 HDAC1 (0.41) APOBEC3AAPOBEC3GHDAC3HDAC1MEN1
Hydrochloric Acid SCHEMBL7129548 0.74 HDAC1 (0.41) APOBEC3AAPOBEC3GHDAC3HDAC1MEN1
SCHEMBL20674246 0.70 BRD4 (0.42) SMN1; SMN2
SCHEMBL2928038 0.69 KDM4E (0.47) HDAC1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29140955 0.68 NAAA (0.61) APOBEC3AAPOBEC3GHDAC3HDAC1KMT2A
SCHEMBL12876249 0.68 L3MBTL1 (0.64) APOBEC3AAPOBEC3GMEN1KMT2ASMN1; SMN2
SCHEMBL2926629 0.66 KDM4E (0.42) HDAC1SMN1; SMN2MAPTRXFP1
SCHEMBL4403435 0.65 NPC1 (0.74) KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-0989128-B1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres OREAL (FR) 2001-03-21 EP disclosed
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 EP disclosed