Benzene

Benzene

SCHEMBL7583977

C=Cc1ccc(Nc2ccc(C=C)cc2)cc1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TSHR P16473 4/20 0.57
HSD17B10 Q99714 5/20 0.52
ALOX12 P18054 5/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 2/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
PTGS2 P35354 1/20 0.52
HTR2B P41595 1/20 0.52
MAPT P10636 5/20 0.42
CYP3A4 P08684 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL290949 0.95 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL1697678 0.95 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL11563830 0.95 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL17283641 0.89 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL15591054 0.89 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
Diphenylamine SCHEMBL2427538 0.87 ALDH1A1 (0.70) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL29639507 0.87 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL14912564 0.83 HPGD (0.54) ALDH1A1TSHRL3MBTL1TDP1MAPT
Diphenylamine SCHEMBL20657024 0.83 HPGD (0.65) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1
SCHEMBL18646955 0.82 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10ALOX12L3MBTL1

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
EP-0875791-B1 An electrophotographic photosensitive member, a process-cartridge inclusive thereof, and an image forming apparatus CANON KK (JP) 2002-07-24 EP disclosed
US-6296978-B1 LIGHT SENSITIVE ELEMENTS FOR IMAGES CANON KABUSHIKI KAISHA (JP) 2001-10-02 US disclosed
EP-0875791-A2 An electrophotographic photosensitive member, a process-cartridge inclusive thereof, and an image forming apparatus CANON KABUSHIKI KAISHA (JP) 1998-11-04 EP disclosed