SCHEMBL17996972

SCHEMBL17996972

CCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4ccc(COC)c(C)c4)cc3)cc2)c2ccc(CC)c(C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CHEK1 O14757 1/20 0.31
ERN1 O75460 1/20 0.31
SLC5A2 P31639 3/20 0.31
CRHR1 P34998 1/20 0.31
SLC5A1 P13866 1/20 0.31
ALDH1A1 P00352 1/20 0.31
UCHL1 P09936 1/20 0.31
TAOK1 Q7L7X3 1/20 0.30
TAOK3 Q9H2K8 1/20 0.30
EGFR P00533 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
QPCT Q16769 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL439595 0.97 ERN1 (0.34) TDP1POLBL3MBTL1TP53MAPT
SCHEMBL15617857 0.94 ERN1 (0.36) TDP1CHEK1ERN1SLC5A2CRHR1
SCHEMBL469128 0.90 ERN1 (0.35) TDP1POLBL3MBTL1TP53CHEK1
SCHEMBL14692897 0.90 EGFR (0.36) ALDH1A1UCHL1TAOK1TAOK3EGFR
SCHEMBL13681229 0.90 TUBB4A (0.33) TDP1POLBL3MBTL1MAPTALDH1A1
SCHEMBL437667 0.89 L3MBTL1 (0.35) TDP1POLBL3MBTL1TP53MAPT
SCHEMBL12404417 0.86 GPR88 (0.37) CHEK1ERN1CRHR1
SCHEMBL12472285 0.85 FAAH (0.36) TDP1POLBL3MBTL1CHEK1ERN1
SCHEMBL10090912 0.84 KDM4E (0.34) TDP1POLBL3MBTL1MAPTALDH1A1
SCHEMBL279198 0.83 TUBB4A (0.36) TDP1POLBL3MBTL1MAPTALDH1A1

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-9500968-B2 Addition of non-networked hole transport molecule to fluorinated structured organic film for improved corona resistance XEROX CORPORATION (US) 2016-11-22 US disclosed
US-20160231660-A1 ADDITION OF NON-NETWORKED HOLE TRANSPORT MOLECULE TO FLUORINATED STRUCTURED ORGANIC FILM FOR IMPROVED CORONA RESISTANCE XEROX CORPORATION 2016-08-11 US disclosed