SCHEMBL9780981

SCHEMBL9780981

CC(=O)Oc1cc2ccc(Br)ccc-2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.55
LMNA P02545 5/20 0.47
GAA P10253 1/20 0.47
BACE1 P56817 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL177352 0.86 HSD17B10 (0.63) CFDLMNAGAABACE1HSD17B10
SCHEMBL154474 0.83 LMNA (0.64) LMNAGAAHSD17B10MAPTMEN1
SCHEMBL11579928 0.81 LMNA (0.61) LMNAGAAHSD17B10MAPTMEN1
SCHEMBL28599109 0.81 LMNA (0.61) LMNAGAAHSD17B10MAPTMEN1
SCHEMBL27935472 0.79 BACE1 (0.70) CFDLMNAGAABACE1HSD17B10
SCHEMBL14710190 0.79 LMNA (0.46) CFDLMNAGAABACE1HSD17B10
SCHEMBL3453107 0.79 LMNA (0.50) CFDLMNAGAABACE1HSD17B10
SCHEMBL13867886 0.78 BACE1 (0.58) CFDLMNABACE1HSD17B10MAPT
SCHEMBL10237396 0.78 LMNA (0.57) LMNAGAAHSD17B10MAPTMEN1
SCHEMBL8477621 0.78 HSD17B10 (0.63) LMNAGAABACE1HSD17B10MAPT

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
JP-3261745-A None JP disclosed
JP-H03261745-A AZULENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT USING THE SAME DERIVATIVE MITSUBISHI KASEI CORP 1991-11-21 JP disclosed