SCHEMBL8867856

SCHEMBL8867856

O=S(=O)(Nc1ccc(CCO)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.71
HDAC1 Q13547 5/20 0.67
HDAC8 Q9BY41 4/20 0.67
HDAC4 P56524 1/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 2/20 0.62
PKM P14618 1/20 0.62
KEAP1 Q14145 2/20 0.61
IL1RN P18510 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
AR P10275 1/20 0.55
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
PGR P06401 1/20 0.54
NR1I2 O75469 1/20 0.54

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
SCHEMBL2822371 0.86 MEN1 (0.67) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL8867847 0.85 HTR6 (0.73) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL8868125 0.84 ALDH1A1 (0.72) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL8249490 0.84 HDAC1 (0.76) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL5830405 0.83 HTR6 (1.00) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL20245194 0.83 HTR6 (0.71) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL3563796 0.83 HDAC1 (0.66) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL810795 0.82 KMT2A (0.91) HTR6MEN1KMT2AALDH1A1PKM
SCHEMBL2692935 0.81 HDAC1 (0.78) HTR6HDAC1HDAC8HDAC4MEN1
SCHEMBL1405096 0.81 HDAC1 (0.72) HTR6HDAC1HDAC8HDAC4MEN1

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed