SCHEMBL9494901

SCHEMBL9494901

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP3A4 P08684 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TPMT P51580 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL9494307 0.91 TSHR (0.77) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL9495547 0.89 MEN1 (0.48) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL9493837 0.89 MEN1 (0.48) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL2954412 0.82 TPMT (0.55) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL126413 0.74 MEN1 (1.00) TSHRMAPK1MEN1KMT2ACYP3A4
Dichlorodiphenyldichloroethylene SCHEMBL177472 0.74 TSHR (1.00) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL23071538 0.72 CYP3A4 (0.59) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL65396 0.72 TPMT (0.59) TSHRTPMTCA1CA2GSK3B
SCHEMBL12954769 0.72 TPMT (0.46) CYP3A4TPMTCA1CA2GSK3B
SCHEMBL9494805 0.72 TSHR (0.59) TSHRMAPK1MEN1KMT2ACYP3A4

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