SCHEMBL9511244

SCHEMBL9511244

Clc1cccc(Cl)c1NBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 2/20 0.43
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
ADRA2A P08913 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRA2B P18089 2/20 0.36
TYK2 P29597 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH2 P25021 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1000236 0.78 PTGS2 (0.46) TYK2ALDH1A1TDP1
SCHEMBL1686581 0.75 ADRA2A (0.52) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL22489476 0.71 CYP1A2 (0.43) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL1144086 0.71 GAA (0.44) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL6378880 0.71 CYP1A2 (0.43) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL11409613 0.71 CYP1A2 (0.43) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL463746 0.71 CYP1A2 (0.43) CYP1A2CYP2A6LMNATSHRADRA2A
SCHEMBL12517972 0.69 GAA (0.41) CYP1A2CYP2A6LMNATSHRADRA2A
Bromide SCHEMBL20984793 0.69 GAA (0.42) CYP1A2CYP2A6LMNATSHRADRA2A
Hydrochloric Acid SCHEMBL839849 0.69 GAA (0.42) CYP1A2CYP2A6LMNATSHRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693032-B A kind of bio-pharmaceuticals factory organic wastewater treating system and its processing method 江苏建筑职业技术学院 2018-05-25 CN claimed
CN-105693032-A Biological pharmaceutical factory organic wastewater treatment system and treatment method 江苏建筑职业技术学院 2016-06-22 CN claimed
CN-105693032-B A kind of bio-pharmaceuticals factory organic wastewater treating system and its processing method 江苏建筑职业技术学院 2018-05-25 CN disclosed
CN-105693032-A Biological pharmaceutical factory organic wastewater treatment system and treatment method 江苏建筑职业技术学院 2016-06-22 CN disclosed
EP-0421216-B1 Process for the preparation of 2,4, resp. 2,6 dihalo-aniline BAYER AG (DE) 1993-10-27 EP disclosed
US-5145958-A Process for the preparation of 2,4- or 2,6-dihalogeno-aniline BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed