SCHEMBL21400902

SCHEMBL21400902

COC(=O)CSC(=S)SCc1ccc(CSC(=S)SCC(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.49
HDAC4 P56524 11/20 0.49
HDAC1 Q13547 11/20 0.49
HDAC7 Q8WUI4 11/20 0.49
HDAC2 Q92769 11/20 0.49
HDAC10 Q969S8 11/20 0.49
HDAC11 Q96DB2 11/20 0.49
HDAC8 Q9BY41 11/20 0.49
HDAC6 Q9UBN7 11/20 0.49
HDAC9 Q9UKV0 11/20 0.49
HDAC5 Q9UQL6 11/20 0.49
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 2/20 0.41
FFAR1 O14842 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 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
SCHEMBL8931557 0.83 POLB (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31124494 0.79 LOXL2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26078308 0.76 CYP2D6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16558614 0.74 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11438278 0.74 IDO1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20144305 0.72 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16552821 0.71 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13870189 0.71 MAPT (0.58) ALDH1A1TDP1TP53HPGD
SCHEMBL11436966 0.71 IDO1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9849842 0.71 IDO1 (0.46) ALDH1A1GAAIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091659-B2 Solder mask inkjet inks for manufacturing printed circuit boards AGFA-GEVAERT (BE) 2021-08-17 US disclosed
US-20190292387-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS ELECTRA POLYMER LTD. (GB) 2019-09-26 US disclosed