SCHEMBL8335580

SCHEMBL8335580

NC(=O)OCC(=O)c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PARP1 P09874 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
C1S P09871 1/20 0.49
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4533433 0.83 RXFP1 (0.60) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL28301105 0.82 RXFP1 (0.59) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL13726555 0.82 NPC1 (0.71) NPC1MEN1KMT2ARXFP1TDP1
SCHEMBL28055395 0.80 TDP1 (0.57) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL3991159 0.79 RXFP1 (0.56) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL28201645 0.79 LOXL2 (0.55) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL8592573 0.78 L3MBTL1 (0.56) NPC1MEN1KMT2APARP1TDP1
SCHEMBL31149717 0.77 PARP1 (0.62) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL1808868 0.77 PARP1 (0.62) NPC1MEN1KMT2APARP1RXFP1
SCHEMBL12647390 0.77 MEN1 (0.51) NPC1MEN1KMT2APARP1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968975-A TREATING ATHEROSCLEROSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-19 US disclosed
WO-1998057925-A1 ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed