SCHEMBL9494307

SCHEMBL9494307

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

nearest known ligand 0.77

Predicted protein targets (top 19)

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
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALOX15 P16050 1/20 0.39
TPMT P51580 1/20 0.39
MGLL Q99685 1/20 0.39
APP P05067 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
LMNA P02545 2/20 0.37
CYP2A6 P11509 1/20 0.36
SRD5A2 P31213 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL9494901 0.91 TSHR (0.59) TSHRCYP3A4MAPK1ATML3MBTL1
Dichlorodiphenyldichloroethylene SCHEMBL177472 0.88 TSHR (1.00) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9493837 0.80 MEN1 (0.48) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9495547 0.80 MEN1 (0.48) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL7772998 0.79 TSHR (0.81) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9494493 0.77 TSHR (0.77) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL9495925 0.77 TSHR (0.77) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL208292 0.77
SCHEMBL851491 0.74 SRD5A2 (0.64) TSHRMAPK1CES2CES1ALOX15
SCHEMBL28466135 0.74 MAPT (0.44) TSHRCYP3A4MAPK1ATML3MBTL1

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