SCHEMBL7978280

SCHEMBL7978280

O=S(=O)(NCC(F)(F)F)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
KAT6A Q92794 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
IDH2 P48735 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
PNMT P11086 3/20 0.44
MAPK1 P28482 1/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4017861 0.81 ATM (0.57) ATMKAT6AL3MBTL1TDP1ALDH1A1
SCHEMBL5032650 0.81 CYP19A1 (0.60) TDP1IDH2CA1CA2CA9
SCHEMBL3013616 0.80 CA1 (0.51) CA1CA2CA9PNMTALDH1A1
SCHEMBL3528919 0.79 CYP2C19 (0.57) IDH2CA1CA2CA9ALDH1A1
SCHEMBL5320347 0.79 ATM (0.66) ATMKAT6AL3MBTL1TDP1PGR
SCHEMBL15653259 0.78 IDH2 (0.44) TDP1IDH2PNMTMAPK1
SCHEMBL17838857 0.78 HTR6 (0.49) TDP1IDH2CA1CA2CA9
SCHEMBL17513498 0.78 ATM (0.60) ATMKAT6AL3MBTL1TDP1PGR
SCHEMBL14920908 0.77 KAT6A (0.48) KAT6ATDP1IDH2PNMTMAPK1
SCHEMBL24496339 0.76 IDH2 (0.46) IDH2CA1CA2CA9PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
CN-1257481-A Pyridine derivatives and pharmaceutical compositions containing them ASTRA PHARMA PROD (GB) 2000-06-21 CN disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed