SCHEMBL3409152

SCHEMBL3409152

O=C(O)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
TP53 P04637 6/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.37
WNT3A P56704 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2865990 0.88 MAPT (0.38) LMNATP53POLBRAB9AMAPT
SCHEMBL2864054 0.88 MAPT (0.44) MAPTWNT3ACYP3A4
SCHEMBL2863564 0.85 EPHX2 (0.42) RAB9AMAPTNPC1
SCHEMBL2866776 0.83 CA2 (0.40) LMNATP53MAPTWNT3A
SCHEMBL2862871 0.83 HDAC1 (0.36) LMNATP53POLBRAB9AMAPT
SCHEMBL2859503 0.83 ALDH1A1 (0.41) POLBRAB9ANPC1
SCHEMBL2867706 0.82 EPHX2 (0.42) LMNAPOLBRAB9AMAPTNPC1
SCHEMBL2860683 0.82 MAPT (0.44) LMNATP53MAPTWNT3A
SCHEMBL2867433 0.81 SCN9A (0.41) LMNAMAPTWNT3ACYP3A4
SCHEMBL2860311 0.81 EPHX2 (0.41) POLBMAPT

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed