SCHEMBL2371259

SCHEMBL2371259

N#Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.47
TRPV4 Q9HBA0 1/20 0.47
KIF11 P52732 2/20 0.46
PDK2 Q15119 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PGR P06401 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL21046587 0.92 AR (0.46) ARTRPV4KIF11PDK2KDM4E
SCHEMBL29914875 0.92 AR (0.46) ARTRPV4KIF11PDK2KDM4E
SCHEMBL28668535 0.89 KIF11 (0.57) ARTRPV4KIF11PDK2PTGDR2
SCHEMBL7604551 0.85 TRPV4 (0.56) ARTRPV4KIF11PDK2GLA
SCHEMBL17955138 0.85 KIF11 (0.53) ARTRPV4KIF11PDK2KDM4E
SCHEMBL4619327 0.83 S1PR1 (0.41) ARGLAGAAS1PR1S1PR3
SCHEMBL15853126 0.83 PTGDR2 (0.42) TRPV4KIF11PDK2KDM4EALDH1A1
SCHEMBL249837 0.82 CYP11B2 (0.54) ARTRPV4S1PR1
SCHEMBL397926 0.81 KIF11 (0.65) ARTRPV4KIF11PDK2PGR
SCHEMBL17950013 0.79 MEN1 (0.44) ARKIF11KDM4EALDH1A1GLA

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
CN-119219454-A Method for preparing aromatic nitrile compound by photoinitiating nitroarene denitration cyanation 武汉光化学技术研究院 2024-12-31 CN disclosed
US-20230033974-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-02 US disclosed
US-10937982-B2 Organic electroluminescent device emitting blue light CYNORA GMBH (DE) 2021-03-02 US disclosed
US-10804481-B2 Organic electroluminescent device emitting blue light CYNORA GMBH (DE) 2020-10-13 US disclosed
US-20200303656-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-24 US disclosed
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed
EP-2547678-A1 ANTI-INFECTIVE COMPOUNDS Institut Pasteur Korea (KR) 2013-01-23 EP disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 WO disclosed
WO-2006063811-A2 SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES BAYER HEALTHCARE AG (DE) 2006-06-22 WO disclosed