SCHEMBL13448239

SCHEMBL13448239

C=C(C)C(=C)C(=O)N(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL194085 0.88 HTT (0.46) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL4022489 0.86 KMT2A (0.44) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL17704773 0.81 KMT2A (0.53) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL31339223 0.79 HTT (0.49) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL9456596 0.77 KMT2A (0.50) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL4660910 0.77 KMT2A (0.47) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL5175591 0.76 HTT (0.46) HTTKMT2APOLBKDM4EFAAH
SCHEMBL28250176 0.76 ALDH1A1 (0.45) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL28250186 0.76 SMN1; SMN2 (0.43) HTTKMT2APOLBKDM4ERAB9A
SCHEMBL208445 0.74 ALDH1A1 (0.54) HTTKMT2APOLBKDM4ERAB9A

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
EP-2168634-A2 Hair dye composition comprising methine dye Kao Corporation (JP) 2010-03-31 EP disclosed