SCHEMBL13645858

SCHEMBL13645858

c1ccc2cc3c(-c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc4c(-c4ccc(-c5nc6ccccc6o5)cc4)c3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.58
RAB9A P51151 9/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 9/20 0.54
HPGD P15428 8/20 0.54
KDM4E B2RXH2 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HSD17B10 Q99714 5/20 0.54
TP53 P04637 4/20 0.54
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
MAPT P10636 5/20 0.49
HCRTR1 O43613 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL27365149 0.92 NPC1 (0.67) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4355625 0.91 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12571621 0.90 NPC1 (0.51) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13620989 0.90 NPC1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4367486 0.89 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1925604 0.89 NPC1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12322691 0.88 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13620964 0.88 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4360878 0.88 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17384484 0.87 NPC1 (0.54) NPC1RAB9AMEN1KMT2AATM

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-7598666-B2 Organic electroluminescent device and luminescent material SANYO ELECTRIC CO., LTD. (JP) 2009-10-06 US disclosed
US-7598666-B2 Organic electroluminescent device and luminescent material SANYO ELECTRIC CO., LTD. (JP) 2009-10-06 US disclosed