SCHEMBL12486704

SCHEMBL12486704

COc1ccc(/C(=C/c2cccs2)C(=O)N2CCc3sc(C(=O)NO)cc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.49
WDR77 Q9BQA1 5/20 0.49
HDAC6 Q9UBN7 9/20 0.48
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 3/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL12486706 1.00 PRMT5 (0.49) PRMT5WDR77HDAC6USP2KMT2A
SCHEMBL12486445 0.87 USP2 (0.46) PRMT5WDR77HDAC6USP2KMT2A
SCHEMBL12486439 0.87 USP2 (0.46) PRMT5WDR77HDAC6USP2KMT2A
SCHEMBL12486651 0.78 HDAC6 (0.54) PRMT5WDR77HDAC6KMT2AMAPT
SCHEMBL12486652 0.78 HDAC6 (0.54) PRMT5WDR77HDAC6KMT2AMAPT
SCHEMBL12486905 0.78 HDAC6 (0.52) PRMT5WDR77HDAC6KMT2AMAPT
SCHEMBL12486907 0.78 HDAC6 (0.52) PRMT5WDR77HDAC6KMT2AMAPT
SCHEMBL12487063 0.77 RAB9A (0.42) HDAC6USP2KMT2AMAPTALDH1A1
SCHEMBL12487066 0.77 RAB9A (0.42) HDAC6USP2KMT2AMAPTALDH1A1
SCHEMBL12684643 0.77 RAB9A (0.42) HDAC6USP2KMT2AMAPTALDH1A1

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
WO-2012117421-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD (IN) 2012-09-07 WO claimed
WO-2012117421-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD (IN) 2012-09-07 WO disclosed