SCHEMBL14392874

SCHEMBL14392874

O=C(CC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1)NCCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 4/20 0.34
▸ HDAC3 O15379 6/20 0.32
▸ HDAC4 P56524 6/20 0.32
▸ HDAC1 Q13547 6/20 0.32
▸ HDAC7 Q8WUI4 6/20 0.32
▸ HDAC2 Q92769 6/20 0.32
▸ HDAC10 Q969S8 6/20 0.32
▸ HDAC11 Q96DB2 6/20 0.32
▸ HDAC8 Q9BY41 6/20 0.32
▸ HDAC6 Q9UBN7 6/20 0.32
▸ HDAC9 Q9UKV0 6/20 0.32
▸ HDAC5 Q9UQL6 6/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL10104559 0.89 NPY1R (0.33) NPY1RKMT2ARAD52RXFP1KDM4E
SCHEMBL14392882 0.85 NPY1R (0.34) NPY1RHDAC3HDAC4HDAC1HDAC7
SCHEMBL14392935 0.82 KMT2A (0.40) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL10104223 0.80 LMNA (0.33) NPY1RHDAC3HDAC4HDAC1HDAC7
SCHEMBL14392881 0.78 KMT2A (0.37) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL10104252 0.74 NPY1R (0.34) NPY1RALDH1A1CHRM2CHRM4CHRM5
SCHEMBL10104165 0.74 KMT2A (0.39) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL26644390 0.74 KMT2A (0.35) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL18102250 0.73 KDM4A (0.42) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL14399338 0.71 MTNR1A (0.34) NPY1RALDH1A1CHRM2CHRM4CHRM5

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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