SCHEMBL27320197

SCHEMBL27320197

C[Sn]C.NC(=O)Nc1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
PEPD P12955 1/20 0.40
KIF11 P52732 6/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NAPRT Q6XQN6 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL789578 0.93 GAA (0.50) GAAMAPTGFERPEPDKIF11
SCHEMBL50031 0.78 HSD17B10 (0.57) GAAMAPTALDH1A1NPC1MEN1
SCHEMBL1419259 0.76 NPC1 (0.42) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL2531539 0.76 EPHX2 (0.41) GAAMAPTGFERNPC1KMT2A
SCHEMBL746119 0.75 ALDH1A1 (0.47) MAPTALDH1A1NPC1MEN1LMNA
SCHEMBL1419142 0.75 TSHR (0.50)
SCHEMBL359677 0.75 SMN1; SMN2 (0.48) GAAMAPTGFERALDH1A1NPC1
SCHEMBL1418850 0.75 L3MBTL1 (0.40) MAPTALDH1A1NPC1MEN1LMNA
SCHEMBL5898304 0.75 TAAR1 (0.53) GAAMAPTALDH1A1MEN1LMNA
SCHEMBL28469245 0.75 KIF11 (0.54) GAAMAPTGFERPEPDKIF11

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-1045786-A SELECTIVE OXABICYCLOALKANES DU PONT (US) 1990-10-03 CN disclosed