SCHEMBL3878751

SCHEMBL3878751

O=C(O)c1cnccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.41
KDM6B O15054 2/20 0.41
KDM4D Q6B0I6 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL10413385 0.79 KDM4C (0.45) KDM4CKDM6BKDM4DKDM4EMEN1
SCHEMBL24144744 0.78 NFE2L2 (0.40) PTGS1PTGS2CA12CA2CA9
SCHEMBL1648325 0.77 KDM4E (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29276912 0.76 CA12 (0.49) PTGS1PTGS2CA12CA2CA9
SCHEMBL9470357 0.74 HSD11B1 (0.46) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL2317318 0.73 RAB9A (0.42) KDM4EALDH1A1CA12CA2CA9
SCHEMBL668446 0.73 KDM4C (0.49) KDM4CKDM6BKDM4DKDM4EMEN1
SCHEMBL30465506 0.73 KDM4C (0.49) KDM4CKDM6BKDM4DKDM4EMEN1
SCHEMBL28721905 0.73 PTGS1 (0.36) KDM4CKDM4APTGS1PTGS2CA12
SCHEMBL29397704 0.73 PTGS1 (0.36) KDM4CKDM4APTGS1PTGS2CA12

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-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed