SCHEMBL27779595

SCHEMBL27779595

C=Cc1nc2ccc[c]c2s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9597126 0.75 NPC1 (0.35) NPC1MAPTL3MBTL1
SCHEMBL5969912 0.73 PI4KA (0.37) NPC1MAPTRAB9AL3MBTL1
SCHEMBL4750497 0.72 SMN1; SMN2 (0.38) NPC1MAPTRAB9AL3MBTL1
SCHEMBL719081 0.69 MAPT (0.56) NPC1MAPTCASP3RAB9ASENP7
Iodide SCHEMBL8929776 0.68 MAPT (0.54) NPC1MAPTCASP3RAB9ASENP7
Hydrochloric Acid SCHEMBL9634629 0.68 MAPT (0.54) NPC1MAPTCASP3RAB9ASENP7
SCHEMBL35236 0.68 KDM4E (0.42) NPC1MAPTRAB9AL3MBTL1
SCHEMBL6973163 0.68 NPC1 (0.44) NPC1MAPTRAB9AL3MBTL1
SCHEMBL10505563 0.66 KDM4E (0.56) NPC1RAB9A
SCHEMBL9587476 0.65 KDM4E (0.41) NPC1MAPTCASP3RAB9ASENP7

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-1680456-B Electroactive polymer, device made therefrom and method GEN ELECTRIC 2010-04-07 CN disclosed