1,2-Dichlorobenzene

1,2-Dichlorobenzene

SCHEMBL28200711

Clc1ccccc1Cl.NN.O=C(O)C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of 1,2-Dichlorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
FEN1 P39748 2/20 0.47
ERCC5 P28715 1/20 0.47
POLB P06746 2/20 0.44
AKR1B1 P15121 1/20 0.44
CTBP2 P56545 1/20 0.44
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
1,2-Dichlorobenzene SCHEMBL27871244 0.85 TSHR (0.67) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL8356206 0.85 TSHR (0.67) TSHRLMNAALDH1A1CES2CES1
Oxalic Acid SCHEMBL28200216 0.84 TSHR (0.58) TSHRLMNAALDH1A1CES2CES1
Chlorobenzene SCHEMBL28280446 0.83 TSHR (0.61) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL27323908 0.82 TSHR (0.83) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL8528441 0.80 TSHR (0.59) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL27754908 0.80 TSHR (0.59) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL27273002 0.79 TSHR (0.67) TSHRLMNAALDH1A1CES2CES1
2-Chlorophenol SCHEMBL28048093 0.79 ALDH1A1 (0.75) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL27321264 0.78 TSHR (0.77) TSHRLMNAALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed