Chlorobenzene

Chlorobenzene

SCHEMBL10336299

C=CCC(Cl)c1ccccc1.Clc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
SCN4A P35499 2/20 0.35
CYP2D6 P10635 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2923052 0.92 CYP2C19 (0.52) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28836131 0.90 CYP2C19 (0.50) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
SCHEMBL691762 0.72 CYP2C19 (0.57) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
SCHEMBL7056249 0.71 CYP2C19 (0.52) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
SCHEMBL6929616 0.71 TSHR (0.44) L3MBTL1CYP2C19TSHRALDH1A1KDM4E
SCHEMBL1121969 0.71 CYP2C19 (0.52) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
SCHEMBL2371653 0.71 TSHR (0.44) CYP2C19TSHR
SCHEMBL7674344 0.70 CYP2C19 (0.55) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL11201030 0.70 CYP2C19 (0.55) ATML3MBTL1CYP2C19TSHRSMN1; SMN2
SCHEMBL9003499 0.70 CYP2C19 (0.55) ATML3MBTL1CYP2C19TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365615-A4 CATALYTIC PROCESS FOR DEGRADATION OF ORGANIC MATERIALS IN AQUEOUS AND ORGANIC FLUIDS TO PRODUCE ENVIRONMENTALLY COMPATIBLE PRODUCTS. UNIV BOSTON (US) 1990-06-27 EP disclosed
EP-0365615-A1 CATALYTIC PROCESS FOR DEGRADATION OF ORGANIC MATERIALS IN AQUEOUS AND ORGANIC FLUIDS TO PRODUCE ENVIRONMENTALLY COMPATIBLE PRODUCTS. UNIV BOSTON (US) 1990-05-02 EP disclosed
WO-1989008079-A1 CATALYTIC PROCESS FOR DEGRADATION OF ORGANIC MATERIALS IN AQUEOUS AND ORGANIC FLUIDS TO PRODUCE ENVIRONMENTALLY COMPATIBLE PRODUCTS TRUSTEES OF BOSTON UNIVERSITY (US) 1989-09-08 WO disclosed