SCHEMBL7516604

SCHEMBL7516604

CC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
PLAT P00750 1/20 0.52
HDAC1 Q13547 1/20 0.52
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49

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
SCHEMBL7516613 0.84 HDAC1 (0.64) PLAUF2F10PLATHDAC1
SCHEMBL7452993 0.77 SIRT2 (0.48) HDAC1MAPTRAB9APOLBALDH1A1
SCHEMBL25492919 0.76 ALDH1A1 (0.55) HDAC1MAPTRAB9AALDH1A1NPC1
SCHEMBL26170005 0.76 ALDH1A1 (0.69) HDAC1MAPTRAB9APOLBALDH1A1
SCHEMBL9674 0.75 MAPT (0.81) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL2344362 0.75 DGAT1 (0.67) PLAUMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL9246171 0.73 MEN1 (0.55) PLAUF2F10PLATMAPT
SCHEMBL5925259 0.73 MAPT (0.59) PLAUF2F10PLATHDAC1
Dibromsalan SCHEMBL29496335 0.71 PLAU (0.73) PLAUF2F10PLATMAPT
SCHEMBL7376765 0.71 SIRT2 (0.59) HDAC1MAPTRAB9APOLBALDH1A1

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
WO-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed