SCHEMBL16558634

SCHEMBL16558634

CCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC[N+](C)(C)C)C3=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.86
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ PIN4 Q9Y237 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21367403 0.86 TERT (1.00) TERTKMT2AMEN1RAB9AKDM4E
Iodide SCHEMBL6233141 0.85 TERT (0.97) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL10023986 0.84 TERT (0.88) TERTKMT2AMEN1RAB9AKDM4E
Iodide SCHEMBL6234517 0.83 TERT (0.94) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL26378291 0.82 TERT (1.00) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL17775320 0.82 TERT (0.56) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL8680446 0.80 TERT (0.67) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL21081429 0.80 TERT (0.61) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL18470159 0.79 KDM4E (0.62) TERTKMT2AMEN1RAB9AKDM4E
SCHEMBL2364432 0.78 TERT (0.72) TERTKMT2AMEN1

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-9431612-B2 Methods for tailoring electrode work function using interfacial modifiers for use in organic electronics THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-08-30 — — US disclosed
US-20150072446-A1 METHODS FOR TAILORING ELECTRODE WORK FUNCTION USING INTERFACIAL MODIFIERS FOR USE IN ORGANIC ELECTRONICS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2015-03-12 — — US disclosed
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