SCHEMBL873852

SCHEMBL873852

FC(F)(F)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
NCF1 P14598 3/20 0.46
CYP1A2 P05177 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MGAM O43451 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL29723103 1.00 CNR2 (0.49) CNR2NCF1CYP1A2NOS2BACE1
Hydrochloric Acid SCHEMBL4591179 0.98 CNR2 (0.47) CNR2NCF1CYP1A2NOS2BACE1
Hydrochloric Acid SCHEMBL16825201 0.98 CNR2 (0.47) CNR2NCF1CYP1A2NOS2BACE1
Quinoline SCHEMBL28188354 0.89 ALDH1A1 (0.61) CNR2NCF1CYP1A2NOS2BACE1
SCHEMBL29076986 0.83 CNR2 (0.48) CNR2ALDH1A1MAPTHPGDNPSR1
SCHEMBL24716272 0.83 NCF1 (0.48) CNR2NCF1CYP1A2NOS2BACE1
SCHEMBL537850 0.83 NCF1 (0.43) CNR2NCF1CYP1A2NOS2BACE1
SCHEMBL28459107 0.83 NCF1 (0.43) CNR2NCF1CYP1A2NOS2BACE1
SCHEMBL15346405 0.81 MAPT (0.48) CNR2NCF1CYP1A2NOS2BACE1
SCHEMBL6543474 0.79 NCF1 (0.48) NCF1CYP1A2NOS2BACE1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947404-B Concrete for mountain gas tunnel and preparation method thereof 湖南中大设计院有限公司 2024-04-16 CN claimed
CN-116947404-A Concrete for mountain gas tunnel and preparation method thereof 湖南中大设计院有限公司 2023-10-27 CN claimed
CN-116887609-A Perovskite thin film layer and preparation method thereof, perovskite silicon laminated solar cell and preparation method thereof 通威太阳能(成都)有限公司 2023-10-13 CN claimed
CN-116178254-B Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-10-03 CN claimed
CN-116840316-A Preparation method of moisture-resistant formaldehyde sensor material and device application thereof 华南师范大学 2023-10-03 CN claimed
CN-115466212-B 2-trifluoromethyl quinoline compound and synthetic method and application thereof 河南农业大学 2023-09-22 CN claimed
CN-114539702-B Polymer material for looped network treatment control device and preparation method thereof 浙江涌原新能科技股份有限公司 2023-08-11 CN claimed
CN-114231000-B Environment-friendly flame-retardant weather-resistant ABS/PC composite material and preparation method thereof 上海祺申塑业股份有限公司 2023-08-01 CN claimed
CN-116178254-A Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-05-30 CN claimed
CN-115466212-A 2-trifluoromethyl quinoline compound and synthetic method and application thereof 河南农业大学 2022-12-13 CN claimed
CN-101646652-A Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition WYETH CORP US 2010-02-10 CN claimed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP claimed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
CN-87105263-A Polyhydroxylated and highly fluorinated compound and preparation method thereof and as the application of tensio-active agent 1988-06-15 CN claimed