SCHEMBL6015147

SCHEMBL6015147

CSCC[C@@H](NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
F2 P00734 2/20 0.49
UBE2N P61088 1/20 0.43
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.37
RCE1 Q9Y256 1/20 0.37
PPID Q08752 1/20 0.36

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
SCHEMBL6015075 0.90 F10 (0.51) F10F2UBE2N
SCHEMBL6015069 0.90 F10 (0.51) F10F2UBE2N
SCHEMBL6015001 0.88 F10 (0.49) F10F2
SCHEMBL6015007 0.88 F10 (0.49) F10F2
SCHEMBL6015113 0.88 F10 (0.52) F10F2
SCHEMBL6015111 0.88 F10 (0.52) F10F2
SCHEMBL3448497 0.86 F10 (0.51) F10F2UBE2NKMT2AALDH1A1
SCHEMBL13123159 0.86 F10 (0.44) F10F2UBE2NKMT2AALDH1A1
SCHEMBL6015027 0.86 F10 (0.51) F10F2ALDH1A1KDM4EHSD17B10
SCHEMBL6015032 0.86 F10 (0.51) F10F2ALDH1A1KDM4EHSD17B10

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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed