SCHEMBL12463305

SCHEMBL12463305

N=C/C(=C\NN)c1ccc2cc(I)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ KLK1 P06870 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ F12 P00748 1/20 0.31

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
SCHEMBL14886275 0.84 PLAU (0.33) PLAU
SCHEMBL12824216 0.83 TPMT (0.34) —
SCHEMBL10140987 0.80 PLAU (0.32) PLAUF2PLGKLKB1KLK1
SCHEMBL7949112 0.65 LCK (0.62) PLAUF2PLGKLKB1PRSS1
SCHEMBL1297632 0.64 NOS1 (0.44) —
SCHEMBL29644321 0.64 NOS1 (0.44) —
SCHEMBL12824214 0.64 — —
SCHEMBL16923685 0.63 TPMT (0.38) —
SCHEMBL852419 0.63 TPMT (0.60) —
SCHEMBL10713877 0.61 NOS1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 — — WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
Send feedback