SCHEMBL28824591

SCHEMBL28824591

O=[SH](=O)O.Oc1c(S)cccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.47
HDAC4 P56524 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BCL2L1 Q07817 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 2/20 0.38
MMP3 P08254 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 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
SCHEMBL27920000 0.91 HDAC4 (0.50) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL15271988 0.87 HDAC4 (0.54) HNF4AHDAC4HDAC2HDAC8HDAC6
Acetic Acid SCHEMBL28044743 0.86 HNF4A (0.51) HNF4AHDAC4HDAC2HDAC8HDAC6
Trifluoromethanesulfonic Acid SCHEMBL28044747 0.80 PTPN1 (0.47) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL28926991 0.74 SLC6A4 (0.39) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL12609346 0.72 ALDH1A1 (0.47) HDAC4HDAC2HDAC8HDAC6BCL2L1
SCHEMBL60283 0.72 HDAC4 (0.65) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL30605196 0.72 HDAC4 (0.65) HNF4AHDAC4HDAC2HDAC8HDAC6
Biphenyl SCHEMBL15365766 0.72 ALDH1A1 (0.60) HDAC4HDAC2HDAC8BCL2L1ALDH1A1
Biphenyl SCHEMBL27785752 0.72 ALDH1A1 (0.60) HDAC4HDAC2HDAC8BCL2L1ALDH1A1

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
CN-103102251-B Radiation-ray sensitive composition MITSUBISHI GAS CHEMICAL INC. (JP) 2016-01-20 CN disclosed