SCHEMBL2212466

SCHEMBL2212466

Cc1cccc(CCNC(=O)c2ccc(C(=O)NCCc3cccc(C)c3)c3c(C(=O)O)ccc(C(=O)O)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
THRB P10828 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 2/20 0.51
MYC P01106 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CNR1 P21554 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL16352054 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL823199 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL823223 0.95 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL5576816 0.95 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL16351275 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL12175719 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL16351304 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL12037459 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL12038229 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBTHRB
SCHEMBL2209781 0.86 KDM4E (0.63) RAB9APOLBTHRBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981719-B2 N,N′-di(arylalkyl)-substituted naphthalene-based tetracarboxylic diimide compounds as n-type semiconductor materials for thin film transistors EASTMAN KODAK COMPANY (US) 2011-07-19 US claimed
US-20090261323-A1 N,N'-DI(ARYLALKYL)-SUBSTITUTED NAPHTHALENE-BASED TETRACARBOXYLIC DIIMIDE COMPOUNDS AS N-TYPE SEMICONDUCTOR MATERIALS FOR THIN FILM TRANSISTORS BANK OF AMERICA, N.A., AS AGENT 2009-10-22 US claimed
US-20060237712-A1 N,N'-di(arylalkyl)-substituted naphthalene-based tetracarboxylic diimide compounds as n-type semiconductor materials for thin film transistors EASTMAN KODAK COMPANY 2006-10-26 US claimed