SCHEMBL23625617

SCHEMBL23625617

Cc1ccc(-c2ccc(C#N)cc2)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.51
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP11B2 P19099 3/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTT P42858 1/20 0.41
GLO1 Q04760 2/20 0.40
FABP1 P07148 1/20 0.40
CKS1B P61024 2/20 0.40
SKP2 Q13309 2/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGLN2 Q96KS0 2/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL24617566 0.82 COMT (0.45) COMTCYP11B2GLO1FABP1CKS1B
SCHEMBL18931200 0.81 COMT (0.56) COMTMEN1KMT2ASMN1; SMN2CCR1
SCHEMBL20733779 0.79 CYP1A2 (0.48) MEN1KMT2ACYP11B2EGLN2
SCHEMBL21389009 0.78 CYP1A2 (0.46) MEN1KMT2ACYP11B2EGLN2
SCHEMBL19939363 0.75 FABP1 (0.47) COMTSMN1; SMN2CYP11B2CCR1CCR8
SCHEMBL18322222 0.75 TSHR (0.52) MEN1KMT2ACYP11B2
SCHEMBL30451858 0.75 TSHR (0.52) MEN1KMT2ACYP11B2
SCHEMBL9727113 0.74 MKNK1 (0.53) CYP11B2FABP1
SCHEMBL3525315 0.74 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CCR1CCR8
SCHEMBL22115384 0.74 FABP1 (0.47) COMTSMN1; SMN2CYP11B2CCR1CCR8

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-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed