SCHEMBL4450490

SCHEMBL4450490

Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.57
MAPK1 P28482 2/20 0.57
NOTUM Q6P988 2/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.41
NUDT1 P36639 4/20 0.41
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1A P35348 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE3A Q14432 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
P2RX7 Q99572 3/20 0.39
PNMT P11086 1/20 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
SCHEMBL440943 0.84 TSHR (0.52) MAPK1NOTUMIDO1TSHRNUDT1
SCHEMBL15330139 0.80 NUDT1 (0.45) MAPK1NOTUMIDO1TSHRNUDT1
SCHEMBL29805295 0.80 AHR (0.63) AHRMAPK1IDO1TSHRCYP2A6
SCHEMBL4458304 0.80 AHR (0.63) AHRMAPK1IDO1TSHRCYP2A6
SCHEMBL4453591 0.79 AHR (0.48) AHRMAPK1NOTUMIDO1TSHR
SCHEMBL30444732 0.79 AHR (0.48) AHRMAPK1NOTUMIDO1TSHR
SCHEMBL29366530 0.78 AHR (0.60) AHRMAPK1TSHR
SCHEMBL4459622 0.78 AHR (0.60) AHRMAPK1TSHR
SCHEMBL4449749 0.77 AHR (0.52) AHRMAPK1TSHRP2RX7CNR2
SCHEMBL4450231 0.77 P2RX7 (0.44) NOTUMIDO1TSHRNUDT1P2RX7

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 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
US-4401603-A CHLORINATION OF THE SOLUTION OR SUSPENSION FORMED BY THE FORMYLATION OF AN ARYLAMINE IN A SOLVENT CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed