SCHEMBL8807954

SCHEMBL8807954

COc1ccc(N(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ABCG2 Q9UNQ0 4/20 0.41
▸ ABCB1 P08183 3/20 0.41
▸ SENP5 Q96HI0 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41

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
SCHEMBL8809638 0.96 F10 (0.42) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8809575 0.94 F10 (0.41) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8808106 0.94 F10 (0.41) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8807055 0.92 ABCG2 (0.43) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8806941 0.91 ABCG2 (0.40) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8808386 0.90 MAPT (0.45) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8810132 0.89 KDR (0.45) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8807015 0.89 ABCG2 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8807951 0.89 BCHE (0.45) F10MAPTALDH1A1NPC1RAB9A
SCHEMBL8808371 0.88 KDR (0.46) F10MAPTALDH1A1NPC1RAB9A

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-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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