SCHEMBL10690897

SCHEMBL10690897

CCCN(CCC)c1ccc(C(=O)C(=O)c2ccc(N(CCC)CCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
ERBB2 P04626 3/20 0.57
ESRRG P62508 2/20 0.51
RAB9A P51151 2/20 0.47
HCAR3 P49019 2/20 0.46
CNR2 P34972 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9320631 0.90 EGFR (0.53) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL8700270 0.88 EGFR (0.48) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL2498524 0.88 EGFR (0.57) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL472318 0.86 HCAR3 (0.57) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL22926070 0.86 MAPT (0.57) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL2369922 0.85 EGFR (0.53) EGFRERBB2RAB9ACNR2CES2
SCHEMBL9321329 0.84 EGFR (0.54) EGFRERBB2ESRRGRAB9AHCAR3
SCHEMBL6338168 0.83 EGFR (0.51) EGFRERBB2ESRRGHCAR3CNR2
SCHEMBL1306139 0.83 MAPT (0.58) ESRRGRAB9AL3MBTL1MEN1POLB
SCHEMBL7150414 0.82 EGFR (0.47) EGFRERBB2ESRRGRAB9ACNR2

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-4760006-A Photoconductive layer containing photoconductor, a binder and a sensitizing dyestuff on electroconductive support HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
EP-0166230-B1 2,3-BIS(DIALKYLAMINOPHENYL)QUINOXALINES AND THEIR USE IN ELECTROGRAPHIC RECORDING MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-06 EP disclosed
EP-0166230-A1 2,3-Bis(dialkylaminophenyl)quinoxalines and their use in electrographic recording materials HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-02 EP disclosed