SCHEMBL8926018

SCHEMBL8926018

PNc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 4/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL2837800 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL1147227 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2317725 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL29386227 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL10421497 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL31683709 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL3185463 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
Iodide SCHEMBL17782948 0.77 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL29019525 0.77 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL4578334 0.77 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTHSD17B10

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-5616805-A USING A PYRENYLAMINE COMPOUND CONTAINING AN ALDEHYDE GROUP AS CHEMICAL INTERMEDIATE RICOH COMPANY, LTD. (JP) 1997-04-01 US disclosed
US-5459275-A Photoconductive layer on electroconductive substrate; electrography; durability, heat resistance, shockproof, flexibility RICOH COMPANY, LTD. (JP) 1995-10-17 US disclosed