SCHEMBL2555032

SCHEMBL2555032

CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPA1 P27694 7/20 0.36
ALDH1A1 P00352 3/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL2553454 0.89 STAT1 (0.39) GAAL3MBTL1ALDH1A1HTTMAPT
SCHEMBL15329882 0.89 GAA (0.37) GAAL3MBTL1RPA1ALDH1A1IDO1
SCHEMBL15332765 0.84 PPARA (0.43) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL15330699 0.83 KMT2A (0.45) GAAALDH1A1IDO1TDO2KDM4E
SCHEMBL15332190 0.83 MAPT (0.41) GAAALDH1A1KDM4ECYP1A2HTT
SCHEMBL15331486 0.82 PPARA (0.42) ALDH1A1CYP2C9CYP2C19MAPTLMNA
SCHEMBL15330526 0.82 PPARA (0.40) ALDH1A1KDM4EMAPTLMNANPBWR1
SCHEMBL15332957 0.81 GAA (0.52) GAAL3MBTL1RPA1ALDH1A1HTT
SCHEMBL29956884 0.81 SMN1; SMN2 (0.47) GAAALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL2553728 0.81 NPBWR1 (0.42) L3MBTL1RPA1ALDH1A1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed