SCHEMBL7991048

SCHEMBL7991048

Clc1nc(Cl)nc(Cl)n1.Nc1cccc2c(O)cccc12.Nc1cccc2c(O)cccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.55
EP300 Q09472 2/20 0.55
KAT2B Q92831 2/20 0.55
KAT8 Q9H7Z6 2/20 0.55
HDAC3 O15379 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NR4A2 P43354 2/20 0.50
CYP1A2 P05177 2/20 0.43
KEAP1 Q14145 1/20 0.43
ALOX15 P16050 2/20 0.41
PLAU P00749 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CDK2 P24941 1/20 0.40
MAPT P10636 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
4-Aminophenol SCHEMBL8003420 0.90 HDAC3 (0.46) IDO1EP300KAT2BKAT8HDAC3
Ammonia Solution, Strong SCHEMBL2208087 0.88 IDO1 (0.70) IDO1EP300KAT2BKAT8HDAC3
3-Aminophenol SCHEMBL7999881 0.87 ALDH1A1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29702452 0.85 IDO1 (0.73) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL485855 0.85 IDO1 (0.73) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29393764 0.85 IDO1 (0.73) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL8371459 0.85 IDO1 (0.73) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL8006509 0.85 IDO1 (0.73) IDO1EP300KAT2BKAT8HDAC3
Aminobenzoic Acid SCHEMBL7991053 0.84 CYP2C9 (0.40) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29706585 0.83 IDO1 (0.70) IDO1EP300KAT2BKAT8HDAC3

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed