SCHEMBL25889043

SCHEMBL25889043

CC(C)c1ccc2c(c1)NC(=O)CCS2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TP53 P04637 1/20 0.49
LMNA P02545 5/20 0.48
KMT2A Q03164 3/20 0.46
THRB P10828 1/20 0.42
KIF11 P52732 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
EPHX2 P34913 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12302659 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9918342 0.84 HTT (0.55) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL5638460 0.80 KMT2A (0.62) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL5507140 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL8853550 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL8853694 0.76 MAOA (0.57) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL24654710 0.74 ALDH1A1 (0.49) LMNAKMT2AKIF11HTTALDH1A1
SCHEMBL29754329 0.74 CA9 (0.57) LMNAKMT2AKIF11ALDH1A1CRBN
SCHEMBL2611058 0.74 CA9 (0.57) LMNAKMT2AKIF11ALDH1A1CRBN
SCHEMBL3328663 0.74 HDAC1 (0.55) HDAC1HDAC8HDAC6TP53LMNA

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
WO-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed