SCHEMBL4451036

SCHEMBL4451036

C=C(C)C(=O)Nc1cc(C)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 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
SCHEMBL4447500 0.85 ALDH1A1 (0.44) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4453094 0.82 RAB9A (0.52) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4453728 0.81 TDP1 (0.45) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4445489 0.81 NPC1 (0.53) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4449676 0.80 TDP1 (0.46) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL345788 0.77 NPC1 (0.33) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL587695 0.77 TDP1 (0.50) RAB9APOLBMEN1KMT2ALMNA
SCHEMBL344539 0.76 POLB (0.38) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL320934 0.76 NPC1 (0.47) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4443402 0.76 NPC1 (0.46) NPC1RAB9AMAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed