SCHEMBL4534080

SCHEMBL4534080

Brc1cccc2c1Nc1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.59
MAPT P10636 7/20 0.59
GAA P10253 6/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SNCA P37840 3/20 0.59
ALOX15 P16050 3/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP1A2 P05177 2/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL31042995 1.00 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL12003864 0.98 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30752073 0.84 NOX1 (0.42) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30274184 0.82 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10530491 0.82 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL5510891 0.81 NOX1 (0.55) NOX1MAPTGAAMEN1KMT2A
SCHEMBL194062 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31331504 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL12003865 0.78 NOX1 (0.55) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11205202 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286562-B Method for benzoylating aromatic heterocyclic or aromatic amine compound containing rich electron 青海大学 2024-02-23 CN claimed
CN-110016124-A A kind of A- π-D- π-A type sensitizer based on diphenyl sulphone (DPS) and preparation method thereof, application 安庆北化大科技园有限公司 2019-07-16 CN claimed
JP-58106760-A None JP disclosed
JP-53111081-A None JP disclosed
EP-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 WO disclosed
CN-104725369-A Binary phenothiazine imidazole derivative, preparation method and organic light emitting device JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2015-06-24 CN disclosed
CN-103977406-A Antiviral compounds GILEAD SCIENCES INC 2014-08-13 CN disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
WO-2012125983-A1 ANTIVIRAL TREATMENTS PROSETTA ANTIVIRAL INC. (US) 2012-09-20 WO disclosed
US-7524567-B2 Spirofluorene-based polymer and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-04-28 US disclosed
CN-1886388-A Development of biologically active methylene blue derivatives (2) PHOTOPHARMICA LTD (GB) 2006-12-27 CN disclosed
US-20050164034-A1 Spirofluorene-based polymer and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-07-28 US disclosed
JP-S58106760-A LITHIUM-IODINE BATTERY SANYO ELECTRIC CO LTD 1983-06-25 JP disclosed
JP-S53111081-A PREPARATION OF BROMOPHENOTHIAZINE AGENCY OF IND SCIENCE & TECHNOL 1978-09-28 JP disclosed