SCHEMBL14392882

SCHEMBL14392882

O=C(CC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2)NCCS

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 6/20 0.34
▸ HDAC3 O15379 6/20 0.33
▸ HDAC4 P56524 6/20 0.33
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC7 Q8WUI4 6/20 0.33
▸ HDAC2 Q92769 6/20 0.33
▸ HDAC10 Q969S8 6/20 0.33
▸ HDAC11 Q96DB2 6/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC9 Q9UKV0 6/20 0.33
▸ HDAC5 Q9UQL6 6/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10104252 0.90 NPY1R (0.34) NPY1RCHRM2CHRM4CHRM5CHRM1
SCHEMBL14399338 0.86 MTNR1A (0.34) NPY1RCHRM2CHRM4CHRM5CHRM1
SCHEMBL14392874 0.85 NPY1R (0.34) NPY1RHDAC3HDAC4HDAC1HDAC7
SCHEMBL14392878 0.84 KMT2A (0.35) KDM4EMEN1MAPTHTTRAB9A
SCHEMBL16070353 0.78 KMT2A (0.35) KDM4EMEN1MAPTHTTRAB9A
SCHEMBL10104234 0.77 KMT2A (0.35) KDM4EMEN1MAPTHTTRAB9A
SCHEMBL19649340 0.75 KMT2A (0.35) KDM4EMEN1MAPTHTTRAB9A
SCHEMBL10104559 0.74 NPY1R (0.33) NPY1RCHRM2CHRM4CHRM5CHRM1
SCHEMBL14392763 0.74 KMT2A (0.32) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL16070306 0.73 KDM4A (0.35) KDM4EMEN1LMNAMAPTHTT

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
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 — — WO disclosed
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