SCHEMBL9768281

SCHEMBL9768281

O=C(CNc1ccccc1Br)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.51
ALPG P10696 5/20 0.51
PLAA Q9Y263 3/20 0.51
TERT O14746 1/20 0.50
TOP1 P11387 1/20 0.50
MAPT P10636 1/20 0.47
SNCA P37840 1/20 0.47
AGTR1 P30556 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CXCR1 P25024 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
CXCR2 P25025 1/20 0.40

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
SCHEMBL9768330 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768029 0.82 ALPL (0.56) ALPLALPGPLAATERTTOP1
SCHEMBL9768152 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768035 0.80 KDM4E (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL9768231 0.80 ALPL (0.52) ALPLALPGPLAATERTTOP1
SCHEMBL9768242 0.79 ALPG (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL9768260 0.78 ERCC1 (0.60) ALPLALPGPLAATERTTOP1
SCHEMBL9768032 0.77 TTR (0.49) ALPLALPGPLAATERTTOP1
SCHEMBL9768082 0.76 ALPL (0.51) ALPLALPGPLAATOP1MAPT
SCHEMBL9768241 0.75 AKR1C3 (0.49) ALPLALPGPLAATOP1HDAC6

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed