SCHEMBL6697024

SCHEMBL6697024

COc1cccc(N)c1[N+](=[N-])c1ccccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
ADRA2B P18089 1/20 0.57
PTGS1 P23219 1/20 0.57
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 3/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EP300 Q09472 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
APP P05067 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6691425 0.85 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL7772203 0.77 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL488921 0.74 CYP3A4 (0.47) ALDH1A1TDP1ADRA2BPTGS1TSHR
SCHEMBL29390378 0.74
SCHEMBL14598 0.74
Hydrochloric Acid SCHEMBL892262 0.72 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL357940 0.72 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL21840888 0.72 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL6469327 0.72 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL30366767 0.72 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1

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
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US claimed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO disclosed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US disclosed
US-4826753-A TRIAZINE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1989-05-02 US disclosed