SCHEMBL5576816

SCHEMBL5576816

Cc1cccc(CCNC(=O)c2ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c6ccc(C(=O)NCCc7cccc(C)c7)c2c36)c54)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.47
MYC P01106 1/20 0.47
THRB P10828 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CNR1 P21554 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.45

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
SCHEMBL823223 1.00 NPC1 (0.54) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL823199 0.95 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL2212466 0.95 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL16352054 0.95 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL12038229 0.92 NPC1 (0.46) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL5574893 0.88 KDM4E (0.57) RAB9APOLBALDH1A1MEN1KMT2A
SCHEMBL16351275 0.86 NPC1 (0.50) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL12175719 0.86 NPC1 (0.50) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL16351304 0.86 NPC1 (0.50) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL12037459 0.86 NPC1 (0.50) NPC1RAB9APOLBSMN1; SMN2TP53

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-7198977-B2 N,N′-di(phenylalky)-substituted perylene-based tetracarboxylic diimide compounds as n-type semiconductor materials for thin film transistors EASTMAN KODAK COMPANY (US) 2007-04-03 US claimed
US-20060134823-A1 N,N'-di(phenylalky)-substituted perylene-based tetracarboxylic diimide compounds as n-type semiconductor materials for thin film transistors EASTMAN KODAK COMPANY 2006-06-22 US claimed