SCHEMBL28006758

SCHEMBL28006758

CCC(=O)c1ccc(C[SH](=O)=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HCAR3 P49019 5/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10066762 0.82 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL17682295 0.79 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL21316613 0.79 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL15630423 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28829391 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28247995 0.76 SMN1; SMN2 (0.50) MAPTSMN1; SMN2L3MBTL1KDM4EATM
SCHEMBL27839079 0.76 RAB9A (0.45) MAPTSMN1; SMN2L3MBTL1TDP1ATM
SCHEMBL28800440 0.76 L3MBTL1 (0.39) MAPTL3MBTL1KDM4ETDP1RAB9A
SCHEMBL21574752 0.75 MAPT (0.39) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL2632670 0.73 HDAC1 (0.56) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1

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
CN-102171196-B Azole derivatives as inhibitors of fatty acid amide hydrolase MERCK SHARP & DOHME 2015-03-25 — — CN disclosed
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