SCHEMBL17614675

SCHEMBL17614675

c1ccc(-c2nnc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)o2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.81
RAB9A P51151 15/20 0.81
SMN1; SMN2 Q16637 9/20 0.81
HPGD P15428 7/20 0.69
NFKB1 P19838 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
POLB P06746 1/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 4/20 0.67
HSD17B10 Q99714 2/20 0.67
GLA P06280 1/20 0.67
MAPT P10636 1/20 0.67
ALOX15 P16050 1/20 0.67
ATAD2 Q6PL18 1/20 0.65
NOTUM Q6P988 2/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58

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
SCHEMBL4343181 0.93 NPC1 (0.94) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL22858502 0.90 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL522555 0.90 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL74999 0.90 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL46424 0.90 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL46426 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL13134570 0.89 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL2813678 0.89 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL17614682 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL1105099 0.88 NPC1 (0.85) NPC1RAB9ASMN1; SMN2HPGDNFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160087227-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160087227-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed