Mebendazole

Mebendazole

SCHEMBL9837685

COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1.c1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.64
CYP1A2 P05177 4/20 0.61
HIF1A Q16665 3/20 0.61
LMNA P02545 3/20 0.61
KDR P35968 2/20 0.61
ALDH1A1 P00352 2/20 0.61
ABL1 P00519 2/20 0.61
CYP2C9 P11712 2/20 0.61
HTT P42858 2/20 0.61
ABCC4 O15439 1/20 0.61
USP2 O75604 1/20 0.61
ADORA3 P0DMS8 2/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
METAP2 P50579 1/20 0.52

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
Carbendazim SCHEMBL18131962 0.89 METAP1 (0.65) METAP1CYP1A2HIF1ALMNAKDR
Mebendazole SCHEMBL2406875 0.88 METAP1 (0.54) METAP1CYP1A2HIF1ALMNAKDR
Mebendazole SCHEMBL29409261 0.83 ABL1 (0.82) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL3429179 0.83 ABL1 (0.82) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL15860 0.83 ABL1 (0.82) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL27690766 0.82 ABL1 (0.80) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL21051200 0.82 ABL1 (0.80) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL21051203 0.82 ABL1 (0.80) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL17262440 0.82 ABL1 (0.80) CYP1A2HIF1ALMNAKDRALDH1A1
Mebendazole SCHEMBL28186589 0.82 ABL1 (0.80) CYP1A2HIF1ALMNAKDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 EP claimed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 WO claimed