SCHEMBL18848849

SCHEMBL18848849

CNCc1ccc2c(c1)C(=O)N(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.42
CRBN Q96SW2 3/20 0.42
CTSC P53634 2/20 0.41
CTSK P43235 1/20 0.41
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HTR7 P34969 3/20 0.38
NCF1 P14598 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PRF1 P14222 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CACNA2D1 P54289 2/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL17208003 0.87 DDB1 (0.46) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL7904241 0.82 HTR2A (0.47) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL29289728 0.81 DDB1 (0.44) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL23981898 0.81 DDB1 (0.44) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL24221625 0.78 SDCBP (0.43) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL25060995 0.78 DDB1 (0.42) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL14566645 0.76 DDB1 (0.54) DDB1CRBNSDCBPSDC2HDAC8
SCHEMBL23349346 0.75 KMT2A (0.51) HDAC8HDAC1HDAC6
SCHEMBL31098599 0.74 DDB1 (0.39) DDB1CRBNCTSCCTSKSDCBP
SCHEMBL29289681 0.74 DDB1 (0.39) DDB1CRBNCTSCCTSKSDCBP

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-2017076852-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 WO disclosed