SCHEMBL5577030

SCHEMBL5577030

Cc1ccccc1CCNC(=N)c1cc(C(=O)O)c2c3ccc4c5c(ccc(c6ccc(C(=O)NCCc7ccccc7C)c1c62)c53)C(=O)NC4=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ SNCA P37840 1/20 0.33

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
SCHEMBL5575192 0.90 HTT (0.47) HTTMAPTTP53MEN1KMT2A
SCHEMBL5187338 0.89 ALDH1A1 (0.41) RAB9ANPC1MAPTPOLBMEN1
SCHEMBL5576815 0.86 TP53 (0.40) RAB9ANPC1MAPTTHRBPOLB
SCHEMBL5185602 0.86 CASP3 (0.35) HTTMAPTTHRBPOLBMEN1
SCHEMBL6561059 0.83 HTT (0.39) HTTSMN1; SMN2HSD17B10
SCHEMBL2524404 0.82 ALOX5 (0.39) HTTPOLBSMN1; SMN2LMNA
SCHEMBL9511404 0.82 KDM4E (0.38) HTTRAB9ANPC1MAPTTP53
SCHEMBL1095842 0.82 ALOX5 (0.39) HTTPOLBSMN1; SMN2LMNA
SCHEMBL10341193 0.81 CHEK1 (0.47) KMT2AHSD17B10
SCHEMBL5577034 0.79 HTT (0.52) HTTRAB9ANPC1ATMMAPT

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
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