SCHEMBL10945840

SCHEMBL10945840

CCCCCCCN(CCCCC)c1cccc(NC(=O)CC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ NR4A1 P22736 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ ICMT O60725 2/20 0.51
▸ ALB P02768 2/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 2/20 0.45

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
SCHEMBL11058922 1.00 POLB (0.52) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL30019201 1.00 POLB (0.52) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL30020911 1.00 POLB (0.52) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL30020825 1.00 POLB (0.52) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL10941264 1.00 POLB (0.52) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL10943447 0.99 POLB (0.54) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL30020332 0.91 ICMT (0.56) POLBRAB9ACYP3A4CYP2C19CYP1A2
SCHEMBL30020577 0.91 ICMT (0.56) POLBRAB9AICMTALBKMT2A
SCHEMBL11521537 0.90 CYP3A4 (0.50) POLBNR4A1RAB9ACYP3A4CYP2C19
SCHEMBL30020925 0.88 LMNA (0.54) POLBRAB9AICMTALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536569-A DYEING POLYESTERS OR CELLULOSE ESTERS BLUE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 — — US disclosed
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