SCHEMBL8862897

SCHEMBL8862897

CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.51
IDO1 P14902 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
RIPK1 Q13546 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 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
SCHEMBL9215271 1.00 KMT2A (0.51) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL9026062 0.91 IDO1 (0.56) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL9027171 0.91 IDO1 (0.56) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL14952762 0.83 IDO1 (0.62) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL29717101 0.83 IDO1 (0.62) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL9027690 0.82 MAPT (0.51) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL9027168 0.82 MAPT (0.51) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL9026965 0.80 IDO1 (0.53) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL23023454 0.78 IDO1 (0.43) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL23023441 0.78 IDO1 (0.43) KMT2AMAPTPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed