SCHEMBL7580640

SCHEMBL7580640

CCOC(=O)C(C)(C#N)N=NC(C)(C#N)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
PKM P14618 3/20 0.36
MMP8 P22894 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL7580637 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL7583995 0.77 DGAT1 (0.37)
SCHEMBL7583990 0.77 DGAT1 (0.37)
SCHEMBL28164782 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL535883 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL7565591 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL3248205 0.73 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28242892 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL15858335 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28836686 0.73 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2

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
EP-0957114-B1 Azoamide compounds and their use as polymerisation initiators WAKO PURE CHEM IND LTD (JP) 2002-09-25 EP disclosed
US-6031084-A Azoamide compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
EP-0957114-A1 Azoamide compounds and their use as polymerisation initiators Wako Pure Chemical Industries, Ltd. (JP) 1999-11-17 EP disclosed