SCHEMBL4447012

SCHEMBL4447012

Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
IDO1 P14902 1/20 0.42
TSHR P16473 3/20 0.42
PDK2 Q15119 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PNMT P11086 1/20 0.39
NUDT1 P36639 3/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL30621941 1.00 NOTUM (0.42) NOTUMIDO1TSHRPDK2CYP2D6
SCHEMBL4456270 0.90 TSHR (0.46) NOTUMIDO1TSHRPDK2CYP2D6
SCHEMBL4459058 0.85 CYP2A6 (0.48) NOTUMIDO1TSHRPDK2CYP2A6
SCHEMBL30378025 0.85 CYP2A6 (0.48) NOTUMIDO1TSHRPDK2CYP2A6
SCHEMBL4453481 0.83 NOTUM (0.41) NOTUMIDO1TSHRCYP2D6MAOA
SCHEMBL2229304 0.82 TSHR (0.44) NOTUMIDO1TSHRPDK2CYP2D6
SCHEMBL29624838 0.82 TSHR (0.44) NOTUMIDO1TSHRPDK2CYP2D6
SCHEMBL4447158 0.81 TSHR (0.48) IDO1TSHRCYP2D6MAPK1PNMT
SCHEMBL29816658 0.81 TSHR (0.48) IDO1TSHRCYP2D6MAPK1PNMT
SCHEMBL440943 0.81 TSHR (0.52) NOTUMIDO1TSHRCYP2D6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP claimed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP disclosed
US-20090269857-A1 Instruments for detecting low-molecular weight substance FUJIKURA KASEI CO., LTD. (JP) 2009-10-29 US disclosed
US-20050148097-A1 Instruments for detecting low-molecular weight substance ENBIOTEC LABORATORIES C., LTD. (JP) 2005-07-07 US disclosed
EP-1489420-A1 INSTRUMENTS FOR DETECTING LOW-MOLECULAR WEIGHT SUBSTANCE Enbiotec Laboratories Co., Ltd. (JP) 2004-12-22 EP disclosed