SCHEMBL14979583

SCHEMBL14979583

CC(=O)Nc1nc(CCc2cccc(OCCN)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.64
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAOB P27338 3/20 0.53
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL972653 0.86 AOC3 (0.81) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL971452 0.84 AOC3 (0.61) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL972875 0.83 AOC3 (0.71) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL972158 0.83 AOC3 (0.60) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4866948 0.81 AOC3 (0.68) AOC3NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL12947793 0.80 AOC3 (0.66) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16242465 0.80 AOC3 (0.66) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL973735 0.80 AOC3 (0.69) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL973247 0.80 AOC3 (0.69) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3407382 0.80 AOC3 (0.69) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1

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
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed