SCHEMBL9494493

SCHEMBL9494493

ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
CYP3A4 P08684 1/20 0.77
MAPK1 P28482 1/20 0.77
ATM Q13315 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.39
GPR183 P32249 1/20 0.39
MGLL Q99685 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9494805 0.91 TSHR (0.59) TSHRCYP3A4MAPK1ATML3MBTL1
Dichlorodiphenyldichloroethylene SCHEMBL177472 0.88 TSHR (1.00) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9494935 0.80 MEN1 (0.48) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9493837 0.80 MEN1 (0.48) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL7772998 0.79 TSHR (0.81) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9495925 0.77 TSHR (0.77) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9494307 0.77 TSHR (0.77) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL197605 0.77
1,4-Dichlorobenzene SCHEMBL10839178 0.77 CYP2A6 (0.61) TSHRMAPK1KMT2AMEN1ALDH1A1
Methyl Alcohol SCHEMBL27601464 0.75 CYP2A6 (0.50) TSHRKMT2AMEN1CES2CES1

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-0352956-B1 PROCESS FOR THE PRODUCTION OF HALOBENZOPHENONE DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-03-17 EP disclosed
US-4960945-A Process for the production of halobenzophenone derivatives KUREHA KAGAKU KOGYO K.K. (JP) 1990-10-02 US disclosed
EP-0352956-A1 Process for the production of halobenzophenone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-31 EP disclosed