SCHEMBL3856954

SCHEMBL3856954

FC(F)(F)c1ccc(-c2ccc3c([c]cn3Cc3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.43
ICMT O60725 2/20 0.43
KIF11 P52732 1/20 0.42
CFTR P13569 1/20 0.40
CXCR2 P25025 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR6 P50406 1/20 0.40
QPCT Q16769 2/20 0.39
QPCTL Q9NXS2 1/20 0.39
SERPINE1 P05121 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ERBB2 P04626 1/20 0.37
MGLL Q99685 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
BACE1 P56817 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL27731268 0.91 ICMT (0.52) ICMTCFTRCXCR2PTGS2SERPINE1
SCHEMBL27751731 0.90 KIF11 (0.42) AGXTICMTKIF11CFTRCXCR2
SCHEMBL27731265 0.87 SERPINE1 (0.43) ICMTHTR6SERPINE1
SCHEMBL27751974 0.84 SERPINE1 (0.55) ICMTSERPINE1BACE1
SCHEMBL5138333 0.81 HTR6 (0.45) CFTRPTGS2HTR6LMNAMAPT
SCHEMBL27731250 0.80 ICMT (0.51) ICMTHTR6LMNAGRIN1GRIN2B
SCHEMBL27751725 0.79 HDAC8 (0.40) ICMTSERPINE1LMNAMAPT
SCHEMBL27731261 0.78 ICMT (0.44) ICMTHTR6QPCTQPCTLSERPINE1
SCHEMBL27751707 0.78 MAPT (0.45) ICMTSERPINE1LMNAMAPT
SCHEMBL27731267 0.77 TLR8 (0.45) AGXTICMTKIF11GRIN2BSIGMAR1

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-2010171-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2009-01-07 EP claimed
WO-2007098278-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS WYETH (US) 2007-08-30 WO claimed
CN-101384256-A PAI-1 Inhibitors for the Treatment of Muscle Conditions WYETH CORP (US) 2009-03-11 CN disclosed