SCHEMBL3433640

SCHEMBL3433640

CC(CS)N(C(=O)Oc1ccc(C#N)cc1)c1ccc2ncsc2c1.CC(CS)N(C(=O)Oc1ccc(Cl)cc1)c1ccc2ncsc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PDE10A Q9Y233 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36
PPP1CA P62136 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
P2RX4 Q99571 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 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
SCHEMBL2866012 0.95 PDE10A (0.39) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2855118 0.94 NPC1 (0.41) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2859516 0.85 PDE10A (0.37) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2869557 0.83 GFER (0.40) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL544322 0.82 NPC1 (0.41) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2855234 0.81 MEN1 (0.44) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2862836 0.81 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL3404966 0.79 MMP2 (0.36) ALDH1A1PPARGCHRNB2CHRNB4CHRNA3
SCHEMBL2863729 0.79 NTRK1 (0.38) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2864066 0.78 SMPD1 (0.37) MEN1KMT2ANPC1RAB9APDE10A

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