SCHEMBL7971260

SCHEMBL7971260

NCc1ccc2[nH]c(-c3[nH]nc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)c3O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45
F7 P08709 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
CHEK2 O96017 4/20 0.44
SGK1 O00141 1/20 0.42
HTR6 P50406 2/20 0.41
MAP2K4 P45985 1/20 0.41
MAPT P10636 5/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7961139 0.85 F9 (0.47) F9F10F11F7MMP2
SCHEMBL10172625 0.83 MMP2 (0.45) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL7973898 0.81 ALDH1A1 (0.44) F9F10F11F7MAPT
SCHEMBL20307797 0.79 F9 (0.47) F9F10F11F7CHEK2
SCHEMBL7974859 0.77 F9 (0.68) F9F10F11F7CHEK2
SCHEMBL7971254 0.74 F9 (0.41) F9F10F11F7ALDH1A1
SCHEMBL7974191 0.72 F10 (0.55) F9F10F11F7CHEK2
SCHEMBL20307773 0.72 F9 (0.43) F9F10F11F7CHEK2
SCHEMBL7978374 0.72 F9 (0.54) F9F10F11F7CHEK2
SCHEMBL7960247 0.70 F9 (0.60) F9F10F11F7CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed