Chlorobenzene

Chlorobenzene

SCHEMBL9759344

COc1nc(N=S(=O)=O)nc(OC)n1.Clc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TSHR P16473 4/20 0.38
ATM Q13315 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAPK1 P28482 2/20 0.31
NR1I3 Q14994 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Fluorobenzene SCHEMBL9759988 0.84 MEN1 (0.38) MAT2AMEN1KMT2ATSHRATM
SCHEMBL32688290 0.65 MEN1 (0.53) MAT2AMEN1KMT2ATSHRATM
SCHEMBL11859472 0.65 MEN1 (0.53) MAT2AMEN1KMT2ATSHRATM
SCHEMBL5198118 0.64 KMT2A (0.64) MEN1KMT2ATSHRATMMAPT
Chlorobenzene SCHEMBL10505568 0.64 TSHR (0.73) MEN1KMT2ATSHRMAPTALDH1A1
Chlorobenzene SCHEMBL18094354 0.64 TSHR (0.73) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
Chlorobenzene SCHEMBL29110687 0.63 TSHR (0.55) TSHRMAPTCYP1A2HTTL3MBTL1
Chlorobenzene SCHEMBL28059835 0.62 TSHR (0.69) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9866066 0.61 MEN1 (0.68) MAT2AMEN1KMT2ATSHRATM
Anisole SCHEMBL332163 0.61 CA4 (0.74) TSHRHPGD

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
US-5006156-A Postemergene herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US claimed