SCHEMBL4453094

SCHEMBL4453094

C=C(C)C(=O)Nc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.46
POLB P06746 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
USP2 O75604 1/20 0.44
BAZ1A Q9NRL2 1/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
PABPC1 P11940 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
SCHEMBL4449676 0.90 TDP1 (0.46) RAB9ANPC1LMNATDP1POLB
SCHEMBL320934 0.88 NPC1 (0.47) RAB9ANPC1LMNATDP1POLB
SCHEMBL29400067 0.87 RXFP1 (0.42) RAB9ANPC1LMNATDP1POLB
SCHEMBL508724 0.87 RXFP1 (0.42) RAB9ANPC1LMNATDP1POLB
SCHEMBL11607495 0.87 RAB9A (0.57) RAB9ANPC1LMNAPOLBMEN1
SCHEMBL30887146 0.85 RAB9A (0.54) RAB9ANPC1LMNATDP1POLB
SCHEMBL3376787 0.85 RAB9A (0.54) RAB9ANPC1LMNATDP1POLB
SCHEMBL508333 0.85 MAPT (0.46) RAB9ANPC1LMNATDP1POLB
SCHEMBL29400036 0.85 MAPT (0.46) RAB9ANPC1LMNATDP1POLB
SCHEMBL10703270 0.83 POLB (0.48) RAB9ANPC1TDP1POLBMEN1

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