SCHEMBL7814023

SCHEMBL7814023

COC(=O)c1ccccc1NC(=O)C(Br)C(Br)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ KMT2A Q03164 4/20 0.56
▸ GAA P10253 4/20 0.55
▸ KDM4E B2RXH2 9/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ HSD17B10 Q99714 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5928724 0.80 TSHR (0.68) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL3860229 0.78 TSHR (0.66) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL12811737 0.77 KMT2A (0.71) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL25904137 0.77 TSHR (0.65) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL448609 0.77 TSHR (0.65) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL6715728 0.77 TSHR (0.60) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL28304178 0.77 TSHR (0.60) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL10362634 0.76 TSHR (0.56) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL13936399 0.76 KMT2A (0.73) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL17115785 0.75 TSHR (0.63) TSHRTDP1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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