SCHEMBL13067698

SCHEMBL13067698

Cc1cc2nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)oc2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.59
RAB9A P51151 13/20 0.59
SMN1; SMN2 Q16637 12/20 0.59
KDM4E B2RXH2 8/20 0.59
HPGD P15428 5/20 0.59
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
POLB P06746 2/20 0.59
SENP8 Q96LD8 1/20 0.59
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 5/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 3/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL23079706 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23079995 0.93 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL18583160 0.92 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23079859 0.86 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL13621031 0.85 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23079994 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL10125862 0.84 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL13067695 0.84 SMN1; SMN2 (0.85) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL25796564 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL2250462 0.83 RAB9A (0.68) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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
WO-2010126270-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-11-04 WO disclosed