SCHEMBL9812948

SCHEMBL9812948

Clc1ccc2c(c1Cl)-c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
AHR P35869 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
ADORA2A P29274 1/20 0.36
S100A4 P26447 1/20 0.35
CES1 P23141 2/20 0.33
DNMT1 P26358 2/20 0.33
IDO1 P14902 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 1/20 0.32
TYMS P04818 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2727865 0.88 ADORA2A (0.34) CYP2A6AHRCYP1A2LMNAADORA2A
SCHEMBL22233095 0.82 ADORA2A (0.53) CYP1A2LMNAADORA2AS100A4CES1
SCHEMBL22233093 0.82 MEN1 (0.50) TSHRLMNAADORA2AS100A4CES1
SCHEMBL2897446 0.76 CYP2A6 (0.35) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL30378025 0.75 CYP2A6 (0.48) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL4459058 0.75 CYP2A6 (0.48) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL9299768 0.74 TSHR (0.47) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL3267863 0.74 TSHR (0.47) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL5574276 0.74 TSHR (0.47) CYP2A6CYP1A2TSHRLMNAADORA2A
SCHEMBL583089 0.73 ADORA2A (0.53) CYP1A2TSHRLMNAADORA2AS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551220-A Preparation and application of DDT monoclonal antibody BEIJING KWINBON BIOTECH CO LTD 2019-12-10 CN claimed
US-3930793-A CONTINUOUS, DISAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed
CN-113105347-B Environment-friendly and energy-saving process for synthesizing 1,4-diamino-2,3-dichloroanthraquinone 江苏华尔化工有限公司 2022-11-04 CN disclosed
CN-114814013-A Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2022-07-29 CN disclosed
CN-114644712-A Method and kit for detecting procymidone 华南农业大学 2022-06-21 CN disclosed
CN-104781297-A Polyurethane/polyacrylic hybrid dispersions for shine applications in home care LUBRIZOL ADVANCED MAT INC 2015-07-15 CN disclosed
CN-103314025-A Aqueous cationic polyurethane dispersions LUBRIZOL ADVANCED MAT INC 2013-09-18 CN disclosed
CN-103298848-A Flame-retarding oligomeric brominated urethane compositions LUBRIZOL ADVANCED MAT INC 2013-09-11 CN disclosed
EP-0113252-B1 PROCESS FOR PRODUCING BLOCK COPOLYAMIDE TORAY INDUSTRIES, INC. (JP) 1991-08-07 EP disclosed
EP-0197417-B1 HEAT EXCHANGE LIQUIDS BAYER AG (DE) 1988-09-14 EP disclosed
EP-0197417-A1 Heat exchange liquids BAYER AG (DE) 1986-10-15 EP disclosed
US-4507465-A IMPACT STRENGTH TORAY INDUSTRIES, INC. (JP) 1985-03-26 US disclosed
EP-0113252-A2 Process for producing block copolyamide TORAY INDUSTRIES, INC. (JP) 1984-07-11 EP disclosed
US-3930793-A CONTINUOUS, DISAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed