SCHEMBL9225010

SCHEMBL9225010

FC(F)C(F)ONc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
TDP1 Q9NUW8 5/20 0.36
HSD17B10 Q99714 5/20 0.36
CTSD P07339 1/20 0.36
TSHR P16473 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 4/20 0.33
IDO1 P14902 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4654107 0.81 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL2361949 0.76 POLB (0.35) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL942307 0.73 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL2255542 0.71 TDP1 (0.48) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL34463716 0.71 IDO1 (0.42) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL943554 0.70 NAPRT (0.44) ALDH1A1HSD17B10TSHRMAPTCYP3A4
Bromide SCHEMBL30083679 0.69 ALDH1A1 (0.47) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL14292863 0.68 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL941713 0.68 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL10697600 0.68 TDP1 (0.44) ALDH1A1TDP1HSD17B10TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475676-B1 Electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
US-5403958-A Fluoroalkoxy-substituted diarylamines as intermediates for charge transfer compounds HITACHI CHEMICAL CO., LTD. (JP) 1995-04-04 US disclosed
US-5352834-A Fluorine-containing N,N,N*,N*-tetraarylbenzidine derivative as charge transport material for electrography HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-10-04 US disclosed
US-5160487-A Tetraarylbenzidine derivative as charge transport compound HITACHI CHEMICAL COMPANY, LTD. (JP) 1992-11-03 US disclosed
EP-0475676-A1 Electrophotographic member HITACHI CHEMICAL CO., LTD. (JP) 1992-03-18 EP disclosed