SCHEMBL1553785

SCHEMBL1553785

O=C1C[N+](=O)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
ADORA3 P0DMS8 3/20 0.42
AR P10275 2/20 0.42
CYP19A1 P11511 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 3/20 0.38
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HSD11B1 P28845 1/20 0.37
AKR1C3 P42330 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2A6 P11509 1/20 0.36
ALOX15 P16050 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
SCHEMBL6590433 0.73 FABP6 (0.41) MAOBCYP19A1KDM4EHSD17B10PKM
SCHEMBL6590831 0.73 MAOB (0.46) MAOB
SCHEMBL10623756 0.73 CASP1 (0.38) KDM4EHSD17B10TSHRNPC1RAB9A
SCHEMBL4728144 0.73 MAOA (0.42) MAOBKDM4EPKMTSHRMAOA
SCHEMBL6590210 0.72 ACHE (0.34) KDM4E
3-Coumaranone SCHEMBL69412 0.71 PKM (0.56) MAOBADORA3ARCYP19A1KDM4E
3-Coumaranone SCHEMBL29420742 0.71 PKM (0.56) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL9854612 0.70 CYP19A1 (0.50) MAOBCYP19A1KDM4ECYP3A4
SCHEMBL7218336 0.69 ALDH1A1 (0.46) KDM4EHSD17B10CES1BCHENPC1
SCHEMBL6645873 0.68 MAOA (0.47) MAOBCYP19A1KDM4EPKMMAOA

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 854 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487899-B1 POLYTRIMETHYLENE TEREPHTHALATE RESINS WITH IMPROVED PROPERTIES ZIMMER AG (DE) 2006-01-04 EP claimed
EP-0454060-B1 3-(Mercaptoalkyl)-quinazoline-2,4(1H,3H)-diones, processes for their preparation, and pharmaceutical compositions DROESSLER KARL PROF DR (DE) 1996-07-03 EP claimed
EP-0454060-A1 3-(Mercaptoalkyl)-quinazoline-2,4(1H,3H)-diones, processes for their preparation, and pharmaceutical compositions ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-10-30 EP claimed
US-6423486-B1 None US disclosed
US-10752782-B2 Radiation curable compositions AGFA NV (BE) 2020-08-25 US disclosed
US-20200047466-A1 LAMINATED SAFETY GLASS AGFA GRAPHICS NV (BE) 2020-02-13 US disclosed
US-10549508-B2 Laminated safety glass AGFA NV (BE) 2020-02-04 US disclosed
US-20170355858-A1 RADIATION CURABLE COMPOSITIONS AGFA NV (BE) 2017-12-14 US disclosed
EP-3233477-A1 RADIATION CURABLE COMPOSITIONS Agfa Graphics NV (BE) 2017-10-25 EP disclosed
EP-2486040-B1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LTD (GB) 2017-06-21 EP disclosed
US-20160303831-A1 LAMINATED SAFETY GLASS AGFA NV (BE) 2016-10-20 US disclosed
US-4923792-A BENZYLIDENE LEUCO COMPOUNDS AS COLOR-GENERATING REDUCING AGENTS, TOPCOAT OF POLYVINYL ALCOHOL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-08 US disclosed
EP-0343206-A1 PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS The Boots Company PLC (GB) 1989-11-29 EP disclosed
US-4883747-A LIGHT SENSITIVE SILVER HALIDE, ORGANIC ACID SILVER SALT, LEUCO DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-11-28 US disclosed
WO-1989004827-A1 PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS THE BOOTS COMPANY PLC (GB) 1989-06-01 WO disclosed
EP-0317149-A1 Process for the synthesis of 3-thio-4-quinolone derivatives and intermediate compounds for use therein, and their use as medicaments The Boots Company PLC (GB) 1989-05-24 EP disclosed
US-4728673-A BLOWING AGENT OF ISATOIC ANHYDRIDE DERIVATIVE IN PRESCENT OF NEUTRAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 US disclosed
US-4369316-A 3,1 Benzoxazine 2,4-dione ICI AMERICAS INC. (US) 1983-01-18 US disclosed
US-4302460-A 4-Quinolinones having antihypertensive activity THE BOOTS COMPANY LIMITED (GB) 1981-11-24 US disclosed
US-3725321-A BLOWING AGENTS BAYER AG (DE) 1973-04-03 US disclosed