Nitrogen

Nitrogen

SCHEMBL4600737

COc1cccc(N(C)C)c1.N#N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.49
HSD17B1 P14061 2/20 0.49
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
APP P05067 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL820669 0.96 ACHE (0.52) HSD17B2HSD17B1ACHEBCHEAPP
SCHEMBL29636366 0.96 ACHE (0.52) HSD17B2HSD17B1ACHEBCHEAPP
Hydrochloric Acid SCHEMBL2861521 0.94 HSD17B2 (0.50) HSD17B2HSD17B1ACHEBCHEAPP
SCHEMBL20838956 0.88 SMN1; SMN2 (0.55) HSD17B2HSD17B1ACHEAPPALDH1A1
SCHEMBL30053811 0.88 SMN1; SMN2 (0.55) HSD17B2HSD17B1ACHEAPPALDH1A1
SCHEMBL6501883 0.88 HSD17B2 (0.50) HSD17B2HSD17B1ACHEBCHEAPP
SCHEMBL1134082 0.83 MTNR1A (0.61) HSD17B2HSD17B1ACHEALDH1A1CA1
SCHEMBL30054343 0.83 MTNR1A (0.61) HSD17B2HSD17B1ACHEALDH1A1CA1
SCHEMBL7850178 0.82 CALM1 (0.46) HSD17B2HSD17B1ACHEBCHEAPP
SCHEMBL30085363 0.80 ALDH1A1 (0.52) HSD17B2HSD17B1ACHEBCHEAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510246-B1 Method and apparatus for emulsification FUJIFILM CORP (JP) 2008-04-16 EP disclosed
US-20050056170-A1 Method and apparatus for emulsification FUJI PHOTO FILM CO., LTD. 2005-03-17 US disclosed
EP-1510246-A2 Method and apparatus for emulsification Fuji Photo Film Co., Ltd. (JP) 2005-03-02 EP disclosed
US-6835692-B2 Heat-sensitive recording material containing oxonol dye FUJI PHOTO FILM CO., LTD. (JP) 2004-12-28 US disclosed
US-20040121909-A1 Heat-sensitive recording material containing oxonol dye FUJI PHOTO FILM CO., LTD. 2004-06-24 US disclosed
EP-0042704-B1 METHOD OF FORMING A PATTERN EMPLOYING A PHOTOSENSITIVE COMPOSITION Hitachi, Ltd. (JP) 1985-03-20 EP disclosed
EP-0042704-A2 Method of forming a pattern employing a photosensitive composition Hitachi, Ltd. (JP) 1981-12-30 EP disclosed