SCHEMBL7068909

SCHEMBL7068909

CC(=O)Nc1[c]ccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CLK1 P49759 1/20 0.40
PKM P14618 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HSD17B10 Q99714 3/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
DDX3X O00571 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL7063953 0.83 DDX3X (0.36) ALDH1A1NPC1MEN1KMT2AGAA
SCHEMBL11754501 0.79 ALDH1A1 (0.47) ALDH1A1PKMNPC1MEN1KMT2A
SCHEMBL7841883 0.79 ALDH1A1 (0.47) ALDH1A1NPC1MEN1KMT2AHSD17B10
SCHEMBL4696811 0.79 HSD17B10 (0.47) ALDH1A1PKMNPC1MEN1KMT2A
SCHEMBL5782916 0.78 ALDH1A1 (0.42) ALDH1A1NPC1MEN1KMT2AHSD17B10
SCHEMBL197626 0.78 KDM4E (0.45) ALDH1A1NPC1MEN1KMT2AHDAC1
SCHEMBL4328076 0.78 DYRK1A (0.43) ALDH1A1PKMMEN1KMT2AHDAC3
SCHEMBL5782169 0.78 DYRK1A (0.43) ALDH1A1PKMCYP2C19NPC1HDAC1
SCHEMBL5783604 0.75 MAPT (0.44) ALDH1A1PKMNPC1MEN1KMT2A
SCHEMBL6883224 0.75 HTT (0.46) ALDH1A1CYP2C19NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5831039-A Fiber reactive polyazo dyes containing two urea groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-03 US disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed