SCHEMBL7417048

SCHEMBL7417048

COC(=O)c1cc(Br)c(NC(C)=O)cc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 2/20 0.44
S1PR2 O95136 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
MAPK10 P53779 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL16371594 0.88 HTT (0.49) SMN1; SMN2HSD17B10KMT2AHTTMEN1
SCHEMBL7410882 0.82 HTT (0.57) SMN1; SMN2HSD17B10KMT2AHTTMEN1
SCHEMBL18737955 0.82 HTT (0.46) SMN1; SMN2HSD17B10KMT2AHTTMEN1
SCHEMBL167967 0.80 POLB (0.51) SMN1; SMN2HSD17B10KMT2AHTTMAPT
SCHEMBL3298778 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL18737828 0.77 ALDH1A1 (0.45) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL8186768 0.77 LCK (0.53) HSD17B10KMT2AMEN1MAPTGAA
SCHEMBL166372 0.77 POLB (0.48) SMN1; SMN2HSD17B10KMT2AHTTMAPT
SCHEMBL5734883 0.77 GAA (0.47) SMN1; SMN2HSD17B10KMT2AHTTMEN1
SCHEMBL166131 0.77 KDM4E (0.39) SMN1; SMN2HSD17B10KMT2AHTTMEN1

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed