SCHEMBL7062991

SCHEMBL7062991

CCCCN(CCCC)c1nc(-c2ccc(C(C)(C)C)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATP4A P20648 12/20 0.46
ATP4B P51164 12/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
CCR4 P51679 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8137225 0.83 RAB9A (0.52) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL18674600 0.78 RAB9A (0.53) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL18678147 0.78 ATP4A (0.50) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL8604306 0.75 ALDH1A1 (0.63) ATP4AATP4BMAPTALDH1A1LMNA
SCHEMBL9984857 0.74 RAB9A (0.49) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL12203573 0.73 MAPT (0.58) MAPTALDH1A1LMNACCR4HK1
SCHEMBL7061078 0.72 TLR8 (0.52) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL22594689 0.70 LTA4H (0.46) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL13109456 0.70 GCGR (0.54) MEN1KMT2AALDH1A1GCGRGIPR
SCHEMBL7518107 0.70 ALDH1A1 (0.39) MEN1KMT2AATP4AATP4BALDH1A1

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-1312986-A1 Magenta-colored toner particles for electrostatographic imaging NexPress Solutions LLC (US) 2003-05-21 EP disclosed
US-6528223-B1 Particle composition comprising binder polymer and specified dye having various substituents introduced into aromatic ring at thiazolyl 4-position, to avoid tendency toward dye crystallization NEXPRESS SOLUTIONS LLC 2003-03-04 US disclosed