SCHEMBL6886693

SCHEMBL6886693

Nc1cccc(NC(=O)NCCO)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.69
ALDH1A1 P00352 3/20 0.56
MAPT P10636 5/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
EPHX1 P07099 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL11742934 0.87 DDX3X (0.69) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL8684279 0.86 MAPT (0.70) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL12156588 0.84 ALDH1A1 (0.66) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL27406747 0.84 DDX3X (0.65) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL27406518 0.83 EPHX1 (0.64) DDX3XALDH1A1MAPTHDAC1HDAC2
SCHEMBL14574174 0.83 DDX3X (0.58) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL30314470 0.82 DDX3X (1.00) DDX3XALDH1A1MAPTKDM4EHDAC3
SCHEMBL1657499 0.82 DDX3X (1.00) DDX3XALDH1A1MAPTKDM4EHDAC3
SCHEMBL658380 0.82 DDX3X (0.71) DDX3XALDH1A1MAPTHDAC3HDAC4
SCHEMBL14466285 0.82 KMT2A (0.71) DDX3XALDH1A1MAPTKDM4EHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809187-B2 FIBER REACTIVE COPPER, COBALT OR CHROMIUM CHELATES; LIGHT-FASTNESS; EFFICIENT UNFIXED MATERIAL WASHOFF OYSTAR TEXTIL FARBEN GMBH & CO. (DE) 2004-10-26 US disclosed
US-20040054154-A1 Metal complex dyes based bucherered naphthols DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2004-03-18 US disclosed
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-4698421-A COLORFASTNESS; GOOD BUILD-UP; TRIAZINE DYES; CHEMICAL RESISTANCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-06 US disclosed
EP-0167858-A1 Fiber-reactive disazo compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-15 EP disclosed
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-4474697-A DYEING COTTON BAYER AKTIENGESELSCHAFT (DE) 1984-10-02 US disclosed