SCHEMBL27520233

SCHEMBL27520233

COc1cccc(-c2ccncc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
ERN1 O75460 1/20 0.42
FYN P06241 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 6/20 0.40
CDC7 O00311 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL3650356 0.83 ALDH1A1 (0.47) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL30141977 0.81 RAB9A (0.61) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL4779549 0.81 RAB9A (0.61) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL15453566 0.80 CA1 (0.50) SMN1; SMN2TP53KDM4EMAPTHSD17B10
SCHEMBL28308744 0.80 KDM4E (0.51) RAB9ASMN1; SMN2TP53NPC1GAA
Hydrochloric Acid SCHEMBL4778775 0.79 RAB9A (0.59) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL23515202 0.77 RAB9A (0.47) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL29625730 0.77 RAB9A (0.47) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL3561432 0.74 HPGD (0.50) RAB9ASMN1; SMN2TP53NPC1KDM4E
SCHEMBL1501174 0.73 CA1 (0.58) SMN1; SMN2TP53ERN1KDM4EMAPT

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-1245822-A Phenolic group-pyridine or metal coordination compound of its derivative and their application as electroluminescence material UNIV JILIN (CN) 2000-03-01 CN disclosed