SCHEMBL6288069

SCHEMBL6288069

N#[N+]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TAAR1 Q96RJ0 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MGLL Q99685 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KIF11 P52732 1/20 0.39
FAAH O00519 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 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
SCHEMBL28211634 0.93 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A2HSD17B10MAPK1
Ethyne SCHEMBL5511281 0.89 ALDH1A1 (0.39) ALDH1A1TAAR1CYP1A2HSD17B10MAPK1
SCHEMBL13567593 0.88 ALDH1A1 (0.32) ALDH1A1CYP3A4TDP1
Hydrochloric Acid SCHEMBL29520700 0.85 ALDH1A1 (0.30) ALDH1A1CYP3A4TDP1MAPT
SCHEMBL37140 0.82
Ammonia Solution, Strong SCHEMBL23611461 0.79
Hydrochloric Acid SCHEMBL3796670 0.79 CA4 (0.35) ALDH1A1TDP1CA1CA2NOTUM
Bromide SCHEMBL9014902 0.79
Hydrochloric Acid SCHEMBL73874 0.79
Water SCHEMBL11963057 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334004-A Light-sensitive diazotype material with 2-hydroxy-3-naphthoic acid amides having 6-sulfonic acid amide substitution HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
JP-2139558-A None JP disclosed
US-6844139-B2 Method for forming a lithographic printing plate KODAK POLYCHROME GRAPHICS, LLC 2005-01-18 US disclosed
WO-2004063816-A1 METHOD FOR FORMING A LITHOGRAPHIC PRINTING PLATE KODAK POLYCHROME GRAPHICS LLC (US) 2004-07-29 WO disclosed
US-20040131973-A1 Method for forming a lithographic printing plate BANK OF AMERICA, N.A., AS AGENT 2004-07-08 US disclosed
EP-0353873-B1 Photsensitive composition KONISHIROKU PHOTO IND (JP) 1993-12-29 EP disclosed
US-5254429-A Diazo resin, unsaturated self-crosslinkable cellulose ester polymer, dye ANOCOIL (US) 1993-10-19 US disclosed
US-5009981-A Polymerizable photosensitive diazo compound, polymeric binder, photoinitiator KONICA CORPORATION (JP) 1991-04-23 US disclosed
JP-H02139558-A PHOTOSENSITIVE COMPOSITION KONICA CORP 1990-05-29 JP disclosed
EP-0353873-A1 Photsensitive composition KONICA CORPORATION (JP) 1990-02-07 EP disclosed