SCHEMBL7472353

SCHEMBL7472353

CCOC(=O)c1cccc(Br)c1.O=S(=O)(O)Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEP1B Q16820 1/20 0.47

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
SCHEMBL245137 0.91 KDM4E (0.65) KDM4EMAPK1LMNATSHRCYP4F2
SCHEMBL29627840 0.91 KDM4E (0.65) KDM4EMAPK1LMNATSHRCYP4F2
SCHEMBL7465769 0.88 LMNA (0.59) KDM4EMAPK1LMNATSHRNPC1
SCHEMBL7471861 0.86 TRPV1 (0.56) LMNACYP4F2CYP4A11CA2CA12
SCHEMBL7467811 0.86 TDP1 (0.52) CYP4F2CYP4A11CA2CA12CA1
SCHEMBL7473301 0.85 CYP4F2 (0.61) LMNATSHRCYP4F2CYP4A11SMN1; SMN2
SCHEMBL7472745 0.84 POLB (0.53) KDM4EMAPK1LMNATSHRCYP4F2
SCHEMBL7471102 0.84 POLB (0.54) LMNACYP4F2CYP4A11SMN1; SMN2CA2
SCHEMBL27480601 0.84 LMNA (0.60) KDM4EMAPK1LMNATSHRNPC1
SCHEMBL6225292 0.83 KDM4E (0.57) KDM4EMAPK1LMNATSHRCYP4F2

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-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed