SCHEMBL5829481

SCHEMBL5829481

CC(C)[C@@H]([C]=O)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.55
▸ MAPT P10636 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ GAA P10253 2/20 0.54
▸ RAB9A P51151 11/20 0.52
▸ NPC1 O15118 10/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ SMN1; SMN2 Q16637 8/20 0.51
▸ NFKB1 P19838 5/20 0.51
▸ NFKB2 Q00653 5/20 0.51
▸ RELA Q04206 5/20 0.51
▸ TP53 P04637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ MGAM O43451 1/20 0.47

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
SCHEMBL12043742 0.82 HDAC8 (0.65) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL8742431 0.80 ALDH1A1 (0.54) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL23722728 0.79 HDAC8 (0.56) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL6313523 0.79 HDAC8 (0.56) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL6446563 0.79 HDAC8 (0.56) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL15459285 0.79 HDAC8 (0.56) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL13127973 0.78 HDAC8 (0.59) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL24802521 0.78 HDAC8 (0.55) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL6443604 0.76 ALDH1A1 (0.58) HDAC8MAPTALDH1A1GAARAB9A
SCHEMBL7392749 0.76 ALDH1A1 (0.58) HDAC8MAPTALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670774-A1 CASPASE-2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2013-12-11 — — EP disclosed
WO-2012104224-A1 CASPASE-2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 — — WO disclosed
EP-1626732-A2 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2006-02-22 — — EP disclosed
WO-2004103389-A2 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS SA (FR) 2004-12-02 — — WO disclosed
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