SCHEMBL7811159

SCHEMBL7811159

COc1cc(F)cc(CC#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
HTR2A P28223 2/20 0.33
SQOR Q9Y6N5 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
HMGCR P04035 1/20 0.31
IDH1 O75874 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
STAT3 P40763 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL4710899 0.86 CYP1A2 (0.40) KDM4EALDH1A1HTTHSD17B10CYP1A2
SCHEMBL13091993 0.86 ACHE (0.39) KDM4EALDH1A1HTTHTR2A
SCHEMBL1052715 0.85 KDM4E (0.31) KDM4EALDH1A1HTT
SCHEMBL1053295 0.84 AR (0.36) SQOR
SCHEMBL13085626 0.82 CYP1A2 (0.35) KDM4EALDH1A1HTTHTR2APDE4A
SCHEMBL18277019 0.81 KDM4E (0.36) KDM4EALDH1A1HTTHTR2ASQOR
SCHEMBL27920637 0.80 HDAC3 (0.40) KDM4EALDH1A1HTTHTR2ASQOR
SCHEMBL1055774 0.78
SCHEMBL2990425 0.78 SLC6A4 (0.43) KDM4EALDH1A1HTR2AHPGD
SCHEMBL16071548 0.77 ALDH1A1 (0.36) KDM4EALDH1A1HTTHTR2ASQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed