SCHEMBL6891791

SCHEMBL6891791

Nc1cc(N)cc(O[PH](=O)Oc2cc(N)cc(N)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NLRP3 Q96P20 1/20 0.30
CYP3A4 P08684 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
SCHEMBL10063428 0.80 F2 (0.34) F2PRSS1PRSS2PRSS3ST14
SCHEMBL3117307 0.77 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27831498 0.74 ALDH1A1 (0.46) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL4074415 0.74 ALDH1A1 (0.50) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL4410154 0.68 SOD1 (0.42) MAPTCYP3A4
SCHEMBL29087015 0.68 NR4A1 (0.48) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL6138483 0.67 MEN1 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL27995295 0.67 MAOA (0.58) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL63148 0.65
SCHEMBL11042061 0.64 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ACYP3A4

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
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed