SCHEMBL7980755

SCHEMBL7980755

CCCC(=O)Oc1cn2ncsc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.34
CA2 P00918 2/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.31
GLA P06280 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7983595 0.73 PDE4A (0.39) MAPTGAAALOX15CA2BCL9
SCHEMBL7980756 0.69 KDM4E (0.48) ALOX15CA2BCL9CTNNB1ALDH1A1
SCHEMBL27635816 0.68 ALDH1A1 (0.36) MAPTGAAALOX15CA2BCL9
SCHEMBL10754839 0.68 CYP1A2 (0.39) MAPTGAATP53ALOX15CA2
SCHEMBL7380565 0.67 ALDH1A1 (0.45) MAPTGAATP53CA2BCL9
SCHEMBL10755050 0.67 RAB9A (0.39) MAPTGAATP53ALOX15CA2
SCHEMBL27750732 0.66 ALDH1A1 (0.38) MAPTGAATP53ALOX15CA2
SCHEMBL7980862 0.65 PTGS1 (0.47) MAPTTP53ALDH1A1KMT2AKDM4E
SCHEMBL7982712 0.64 BCL9 (0.34) MAPTGAAALOX15CA2BCL9
SCHEMBL7981083 0.64 HRH4 (0.42) GAAALOX15BCL9CTNNB1ALDH1A1

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-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed