SCHEMBL9026317

SCHEMBL9026317

O=C1CN(O)C(=O)[C@H](Cc2c[nH]c3ccccc23)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
TACR1 P25103 1/20 0.59
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 4/20 0.58
IDO1 P14902 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
THRB P10828 1/20 0.58
RIPK1 Q13546 1/20 0.58

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
SCHEMBL28359839 0.85 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL28359843 0.85 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL7822959 0.81 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL4287307 0.81 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9026182 0.78 KMT2A (0.58) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9027299 0.78 IDO1 (0.62) KMT2AMEN1MAPTIDO1L3MBTL1
SCHEMBL9437576 0.77 LMNA (0.52) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9437650 0.77 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL837717 0.76 RIPK1 (0.79) KMT2AMEN1MAPTIDO1L3MBTL1
SCHEMBL21400727 0.76 KMT2A (0.67) KMT2AMEN1MAPTIDO1L3MBTL1

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
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed