SCHEMBL20752111

SCHEMBL20752111

CCN1C(=O)C(F)(F)Oc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MARK3 P27448 1/20 0.34
ALPL P05186 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.32
S1PR4 O95977 1/20 0.30
RAB9A P51151 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
RIPK1 Q13546 1/20 0.30
ELANE P08246 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
SCHEMBL15786403 0.76 MARK3 (0.31) MARK3
SCHEMBL13961730 0.75 MARK3 (0.30) MARK3
SCHEMBL13340902 0.74 MARK3 (0.30) MARK3
SCHEMBL15783495 0.73 TDP1 (0.31)
SCHEMBL18237838 0.71 USP19 (0.41) MEN1KMT2AALDH1A1BRD4ADRA2A
SCHEMBL8654708 0.69 ALDH1A1 (0.40) BACE1BACE2KMT2AMARK3ALDH1A1
SCHEMBL25891411 0.68 ALDH1A1 (0.44) BACE1BACE2MEN1KMT2AMARK3
SCHEMBL15790780 0.68 HDAC6 (0.48) HDAC6NPC1ALDH1A1POLBBRD4
SCHEMBL16601592 0.67 KMT2A (0.38) MEN1KMT2AALPLALDH1A1POLB
SCHEMBL12904005 0.64 HDAC6 (0.48) HDAC6MEN1KMT2ANPC1ALDH1A1

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-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed