SCHEMBL28308341

SCHEMBL28308341

CCn1cc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.53
ALDH1A1 P00352 8/20 0.49
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MITF O75030 2/20 0.49
PAX8 Q06710 2/20 0.49
KDM5A P29375 1/20 0.49
KDM5C P41229 1/20 0.49
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
SENP8 Q96LD8 1/20 0.44
GAA P10253 4/20 0.44
TP53 P04637 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL15676781 0.79 TLR8 (0.43) TLR8NPC1RAB9ACASP3SENP7
SCHEMBL19627040 0.78 NPC1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2631424 0.77 TLR8 (0.46) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22434984 0.75 NPC1 (0.53) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13931997 0.74 GABRA2 (0.47) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21153432 0.71 IDO1 (0.46)
SCHEMBL6265796 0.70 TLR8 (0.51) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18041518 0.69 NPC1 (0.48) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4334641 0.69
SCHEMBL10223523 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD

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-110128843-A Fluorescent dye and its preparation method and application 深圳大学 2019-08-16 CN disclosed