SCHEMBL9508726

SCHEMBL9508726

C=CC(=Cc1ccccc1)[n+]1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.34
ESR1 P03372 1/20 0.34
KDM1A O60341 1/20 0.34
AKT1 P31749 1/20 0.33
FBP1 P09467 3/20 0.32
CHAT P28329 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PRMT1 Q99873 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL1377680 0.80 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3AKR1C1ESR1
Hydrochloric Acid SCHEMBL10696032 0.78 ALDH1A1 (0.47) ALDH1A1TSHRAKR1C3AKR1C1KDM1A
SCHEMBL8625481 0.74 TSHR (0.40) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL4666032 0.71 MCL1 (0.40) ALDH1A1TSHRAKR1C3AKR1C1ESR1
Benzene SCHEMBL7850990 0.69 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL5879278 0.69 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL117901 0.69 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL7758314 0.68 CYP1A2 (0.41) ALDH1A1TSHRESR1CHAT
Iodide SCHEMBL6554697 0.67 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL8607275 0.67 CHAT (0.39) ALDH1A1TSHRAKR1C3AKR1C1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205083-B1 IMAGE FORMING METHOD AND TRANSFER RECORDING MEDIUM THEREFOR CANON KABUSHIKI KAISHA (JP) 1993-09-01 EP disclosed
EP-0261394-B1 IMAGE RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 1993-08-11 EP disclosed
US-5015552-A Multilayer optical image recording process involving crosslinking, treatment with heat or light, transferring CANON KABUSHIKI KAISHA (JP) 1991-05-14 US disclosed
US-5005028-A Image forming method and transfer recording medium therefor CANON KABUSHIKI KAISHA (JP) 1991-04-02 US disclosed
US-4990931-A Image forming method and apparatus therefor CANON KABUSHIKI KAISHA (JP) 1991-02-05 US disclosed
US-4978968-A Image recording apparatus CANON KABUSHIKI KAISHA (JP) 1990-12-18 US disclosed
EP-0261394-A2 Image recording apparatus CANON KABUSHIKI KAISHA (JP) 1988-03-30 EP disclosed
EP-0205083-A2 Image forming method and transfer recording medium therefor CANON KABUSHIKI KAISHA (JP) 1986-12-17 EP disclosed