SCHEMBL9550375

SCHEMBL9550375

CC1(C)CC(=O)N(C#N)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.33
CTSK P43235 1/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 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
SCHEMBL11037888 0.72 POLB (0.38) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL6693515 0.71
SCHEMBL761687 0.69 MEN1 (0.39) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL11356877 0.68 MEN1 (0.36) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9550315 0.67 CTSL (0.35) KMT2ACTSK
SCHEMBL2237816 0.67 POLB (0.38) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL19908363 0.67 POLB (0.38) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL19992649 0.67 POLB (0.38) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5005449 0.65 HTR1A (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL11930031 0.63 POLB (0.36) POLBMEN1KMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed