SCHEMBL6942864

SCHEMBL6942864

CCCNC(=O)NC(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 4/20 0.48
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL6942870 1.00 MEN1 (0.57) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL11244677 0.88 SMN1; SMN2 (0.62) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL11244673 0.88 SMN1; SMN2 (0.62) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL4587111 0.85 EPHX1 (0.71) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL7769494 0.85 EPHX1 (0.71) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL4586209 0.85 EPHX1 (0.71) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL7259180 0.83 MEN1 (0.51) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL4586198 0.82 SMN1; SMN2 (0.55) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL5705785 0.81 EPHX1 (0.43) MEN1KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL2625542 0.80 EPHX1 (0.70) MEN1KMT2ASMN1; SMN2EPHX1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155002-A4 METHOD OF SYNTHESIZING BARBITURIC ACID DERIVATIVES AND THEIR USE FOR THE SYNTHESIS OF CHEMICAL LIBRARIES TRANSTECH PHARMA INC (US) 2003-03-19 EP disclosed
EP-1155002-A1 METHOD OF SYNTHESIZING BARBITURIC ACID DERIVATIVES AND THEIR USE FOR THE SYNTHESIS OF CHEMICAL LIBRARIES TransTech Pharma Inc. (US) 2001-11-21 EP disclosed
WO-2000046211-A1 METHOD OF SYNTHESIZING BARBITURIC ACID DERIVATIVES AND THEIR USE FOR THE SYNTHESIS OF CHEMICAL LIBRARIES TRANSTECH PHARMA (US) 2000-08-10 WO disclosed
US-4340728-A ANTITUMOR AGENT OF 5-FLUORO URIDINE OR URACIL DERIVATIVE FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-07-20 US disclosed