SCHEMBL21265726

SCHEMBL21265726

COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COC(=O)CCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.47
EHMT1 Q9H9B1 1/20 0.43
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABL1 P00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDR P35968 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ITK Q08881 7/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 2/20 0.38
STING1 Q86WV6 2/20 0.38

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
SCHEMBL21265764 0.94 EHMT2 (0.46) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL25887858 0.89 EHMT2 (0.47) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL23619291 0.88 EHMT2 (0.44) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL21265754 0.87 EHMT2 (0.43) EHMT2EHMT1USP2LMNAABCC4
Hydrochloric Acid SCHEMBL23610932 0.87 EHMT2 (0.46) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL21265766 0.86 EHMT2 (0.42) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL23610928 0.86 EHMT2 (0.42) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL21265743 0.85 EHMT2 (0.51) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL25889293 0.85 EHMT2 (0.42) EHMT2EHMT1USP2LMNAABCC4
SCHEMBL23619186 0.85 EHMT2 (0.46) EHMT2EHMT1USP2LMNAABCC4

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