SCHEMBL16656331

SCHEMBL16656331

CCc1cccc(C)c1N1C(=O)c2cc(C#N)c3c4c(cc(C#N)c(c24)C1=O)C(=O)N(C)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.42
ANPEP P15144 4/20 0.42
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
CASP7 P55210 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM5A P29375 1/20 0.32

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
SCHEMBL16656163 0.83 DPP4 (0.44) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL16601987 0.82 DPP4 (0.39) DPP4ANPEPMEN1KMT2A
SCHEMBL16656164 0.80 DPP4 (0.42) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL11018512 0.80 DPP4 (0.54) DPP4ANPEPMEN1KMT2ALMNA
SCHEMBL12656452 0.78 DPP4 (0.50) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL12113902 0.77 CASP3 (0.37) MEN1KMT2AALDH1A1USP2CASP1
SCHEMBL16656161 0.75 PGR (0.38) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL16601631 0.74 DPP4 (0.46) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL16601611 0.74 ANPEP (0.49) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL13045764 0.73 DPP4 (0.55) DPP4ANPEPMEN1KMT2AALDH1A1

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
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed