SCHEMBL19980321

SCHEMBL19980321

CNC(=O)c1ccc(NC(C)(C)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC2 Q92769 1/20 0.52
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLK1 P53350 7/20 0.47
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
CA2 P00918 1/20 0.44
MMP13 P45452 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
KIF11 P52732 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10294115 0.85 HDAC8 (0.55) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL25041715 0.81 NR1H4 (0.51) HDAC8HDAC6HTTSMN1; SMN2EPHX2
SCHEMBL16504240 0.80 HDAC8 (0.50) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL19707372 0.79 MAPT (0.47) HPGDSMN1; SMN2KIF11
SCHEMBL1646972 0.78 NAPRT (0.46) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL28822065 0.77 POLB (0.41) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL28130554 0.77 MAPT (0.49) HPGDHTTSMN1; SMN2LMNAMEN1
SCHEMBL3374091 0.77 POLB (0.58) TSHRHTTSMN1; SMN2MEN1KMT2A
SCHEMBL250247 0.77 HDAC6 (0.80) HDAC8HDAC6HDAC2HPGDTSHR
Hydrochloric Acid SCHEMBL8791650 0.76 NAPRT (0.45) HDAC8HDAC6HDAC2HPGDTSHR

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
EP-2538785-B1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS LLC (US) 2018-03-21 EP disclosed