SCHEMBL1934857

SCHEMBL1934857

COC(=O)Oc1cc(Cl)ncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
CUL4A Q13619 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
KMO O15229 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.32
MAPK1 P28482 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PRCP P42785 1/20 0.32
FGFR4 P22455 1/20 0.32
JAK2 O60674 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4698064 0.88 L3MBTL1 (0.42) L3MBTL1CUL4AALDH1A1CYP1A2KDM4E
SCHEMBL9189087 0.81 L3MBTL1 (0.37) L3MBTL1ALDH1A1CYP1A2KDM4EHPGD
SCHEMBL1936666 0.81 ALDH1A1 (0.39) L3MBTL1ALDH1A1KMOKDM4EHPGD
SCHEMBL27820544 0.81 KDM4E (0.38) L3MBTL1ALDH1A1KMOKDM4EHPGD
SCHEMBL2918657 0.81 JAK2 (0.39) CUL4AALDH1A1JAK2SMN1; SMN2KMT2A
SCHEMBL1742128 0.79 KMO (0.35) KMOMEN1KMT2A
SCHEMBL3660791 0.79 KMO (0.38) KMOMEN1KMT2A
SCHEMBL3655006 0.78 ALDH1A1 (0.35) L3MBTL1ALDH1A1KMOKDM4EHPGD
SCHEMBL17362797 0.77 MEN1 (0.36) KMOLMNAMEN1KMT2A
SCHEMBL6637346 0.76 MEN1 (0.44) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10

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-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed