SCHEMBL21265743

SCHEMBL21265743

COCn1c(NC(=O)OC)nc2cc(C(=O)c3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.51
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.49
ABCC4 O15439 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ABL1 P00519 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KDR P35968 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
EHMT1 Q9H9B1 1/20 0.47
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ITK Q08881 7/20 0.44
ADORA2A P29274 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL1193205 0.89 EHMT2 (0.49) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL25887858 0.89 EHMT2 (0.47) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL30514367 0.89 EHMT2 (0.49) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL21265742 0.88 EHMT2 (0.46) EHMT2USP2LMNAABCC4ALDH1A1
Hydrochloric Acid SCHEMBL23610932 0.87 EHMT2 (0.46) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL21265764 0.87 EHMT2 (0.46) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL23619186 0.87 EHMT2 (0.46) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL30514369 0.86 EHMT2 (0.45) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL21265863 0.86 EHMT2 (0.45) EHMT2USP2LMNAABCC4ALDH1A1
SCHEMBL21265726 0.85 EHMT2 (0.47) EHMT2USP2LMNAABCC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019157338-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY THE JOHNS HOPKINS UNIVERSITY (US) 2019-08-15 WO disclosed