SCHEMBL8593114

SCHEMBL8593114

C(=Cc1ccccc1-c1nc2ccccc2o1)c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
TOP2A P11388 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46

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
SCHEMBL250148 0.92 TOP2A (0.53) TOP2ANPC1RAB9AALDH1A1HPGD
SCHEMBL5335888 0.92 TOP2A (0.53) TOP2ANPC1RAB9AALDH1A1HPGD
SCHEMBL22687002 0.92 TOP2A (0.53) TOP2ANPC1RAB9AALDH1A1HPGD
SCHEMBL285170 0.85 ALDH1A1 (0.48) SNCATOP2ANPC1RAB9AALDH1A1
SCHEMBL28887970 0.85 ALDH1A1 (0.48) SNCATOP2ANPC1RAB9AALDH1A1
SCHEMBL285168 0.85 ALDH1A1 (0.48) SNCATOP2ANPC1RAB9AALDH1A1
SCHEMBL7567677 0.85 PTGS2 (0.50) TOP2ANPC1RAB9AALDH1A1HPGD
SCHEMBL6421503 0.82 SNCA (0.64) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6421501 0.82 SNCA (0.64) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6688214 0.80 MEN1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1998000231-A9 HIGH-THROUGHPUT SCREENING ASSAY SYSTEMS IN MICROSCALE FLUIDIC DEVICES 1998-04-23 WO disclosed