SCHEMBL3972260

SCHEMBL3972260

CCOC(=O)n1c(C)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.53
NOD1 Q9Y239 3/20 0.53
KDM4E B2RXH2 3/20 0.49
ADORA3 P0DMS8 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
PSMD14 O00487 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
NR1H2 P55055 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL7170567 0.86 KDM1A (0.48) NOD2NOD1MEN1KMT2AL3MBTL1
SCHEMBL29853941 0.85 TP53 (0.43) NOD2NOD1KDM4EMEN1KMT2A
SCHEMBL28615205 0.84 NOD2 (0.51) NOD2NOD1KDM4EADORA3MEN1
SCHEMBL6706688 0.84 NOD2 (0.51) NOD2NOD1KDM4EADORA3MEN1
SCHEMBL28208532 0.83 TP53 (0.42) NOD2NOD1KDM4EMEN1KMT2A
SCHEMBL6988991 0.83 NOD2 (0.71) NOD2NOD1KDM4EADORA3MEN1
SCHEMBL4056238 0.83 NOD2 (0.50) NOD2NOD1KDM4EADORA3MEN1
SCHEMBL5136650 0.81 NOD2 (0.55) NOD2NOD1KDM4EMEN1KMT2A
SCHEMBL5713778 0.81 NR1H2 (0.57) NR1H2
SCHEMBL30711377 0.81 NR1H2 (0.57) NR1H2

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-2847164-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF The University of Utah Research Foundation (US) 2015-03-18 EP disclosed
WO-2013169396-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-11-14 WO disclosed
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 WO disclosed