SCHEMBL4151388

SCHEMBL4151388

Cc1nc(-c2ccc3ccccc3c2)sc1CO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
PPARD Q03181 3/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 3/20 0.39
FFAR1 O14842 3/20 0.39
AR P10275 1/20 0.39
PYGL P06737 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL3077683 0.82 SMN1; SMN2 (0.56) LMNAPPARDMAPTTP53FFAR1
SCHEMBL12875924 0.80 LMNA (0.54) LMNAPPARDMAPTTP53FFAR1
SCHEMBL8989130 0.79 KDM4E (0.54) LMNAPPARDMAPTTP53FFAR1
SCHEMBL3372237 0.78 MAPT (0.55) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL28295525 0.77 ALOX5 (0.60) LMNAMAPTTP53PTGDR2
SCHEMBL4474091 0.76 LMNA (0.48) LMNAMAPTTP53SMN1; SMN2MEN1
SCHEMBL95917 0.76 RAB9A (0.56) LMNAMAPTTP53SMN1; SMN2MEN1
SCHEMBL3371249 0.75 MAPT (0.48) LMNAPPARDMAPTTP53FFAR1
SCHEMBL28295520 0.75 CDC7 (0.64) LMNAMAPTMEN1NPC1ALDH1A1
SCHEMBL28295517 0.75 CDC7 (0.51) LMNAMAPTSMN1; SMN2NPC1ALDH1A1

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
WO-2009078981-A2 PPAR-DELTA LIGANDS AND METHODS OF THEIR USE SRI INTERNATIONAL (US) 2009-06-25 WO disclosed
CN-101007790-A Oxamic acid derivative, and its preparation method and medicinal uses BEIJING MOLIKE SCIENCE AND TEC (CN) 2007-08-01 CN disclosed