SCHEMBL9775694

SCHEMBL9775694

CC(C)Oc1cccc(Nc2ccc(Br)cc2F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
LMNA P02545 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
SYK P43405 2/20 0.40
DHODH Q02127 2/20 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
SCHEMBL9775689 0.84 CNR1 (0.46) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL28689644 0.74 LMNA (0.61) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5754355 0.73 MAPK14 (0.47) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL8384042 0.72 NPC1 (0.49) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL29731196 0.72 NPC1 (0.49) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL1204347 0.72 NPC1 (0.49) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL22864084 0.71 MAPK14 (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1222745 0.70 LMNA (0.48) NPC1LMNARAB9ASMN1; SMN2NFKB1
SCHEMBL28973552 0.70 LMNA (0.47) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2372740 0.70 GAA (0.53) NPC1LMNARAB9ASMN1; SMN2ALDH1A1

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-5030761-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-09 US disclosed
US-4431822-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-14 US disclosed