SCHEMBL7999976

SCHEMBL7999976

NCCCO.Nc1cccc2c(O)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.52
HDAC3 O15379 1/20 0.52
EP300 Q09472 1/20 0.52
KAT2B Q92831 1/20 0.52
KAT8 Q9H7Z6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.39
NR4A2 P43354 1/20 0.38
CDK2 P24941 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL8001432 0.93 IDO1 (0.48) IDO1HDAC3EP300KAT2BKAT8
Putrescine SCHEMBL7991111 0.91 IDO1 (0.57) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL29702452 0.82 IDO1 (0.73) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL29393764 0.82 IDO1 (0.73) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL8371459 0.82 IDO1 (0.73) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL8006509 0.82 IDO1 (0.73) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL485855 0.82 IDO1 (0.73) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL29706585 0.80 IDO1 (0.70) IDO1HDAC3EP300KAT2BKAT8
Hydrochloric Acid SCHEMBL28651123 0.80 IDO1 (0.70) IDO1HDAC3EP300KAT2BKAT8
Ammonia Solution, Strong SCHEMBL2208087 0.80 IDO1 (0.70) IDO1HDAC3EP300KAT2BKAT8

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