SCHEMBL8779804

SCHEMBL8779804

ClC(Cl)(Cl)Sc1ccc(SC(Cl)(Cl)Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32

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
SCHEMBL8486201 0.86 IDO1 (0.39) KDM4EALDH1A1TDP1
SCHEMBL7938138 0.86 ALDH1A1 (0.36) KDM4EALDH1A1TDP1PTPN1PTPRZ1
SCHEMBL7940598 0.86 NR1H2 (0.50) KDM4EALDH1A1TDP1
SCHEMBL11986372 0.80 CA1 (0.50) KDM4EALDH1A1TDP1
SCHEMBL9018876 0.78 TSHR (0.52) ALDH1A1
SCHEMBL10983784 0.76 KDM4E (0.34) KDM4EALDH1A1TDP1PTPN1PTPRZ1
SCHEMBL11782330 0.75 CYP3A4 (0.45) TDP1
SCHEMBL15006775 0.73 SRD5A2 (0.53) ALDH1A1
SCHEMBL10795251 0.73 RAB9A (0.36) ALDH1A1PTPRZ1
SCHEMBL11685809 0.71 TSHR (0.54) TDP1

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed