SCHEMBL4453728

SCHEMBL4453728

C=C(C)C(=O)Nc1ccc2nn(-c3cccc(C)c3O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
MAPT P10636 6/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
LMNA P02545 2/20 0.42
BAZ1A Q9NRL2 1/20 0.41
NOTUM Q6P988 1/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL4445592 0.87 TDP1 (0.41) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL320934 0.86 NPC1 (0.47) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10613855 0.85 MAPT (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3376787 0.81 RAB9A (0.54) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL30887146 0.81 RAB9A (0.54) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL4451036 0.81 NPC1 (0.44) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL4441549 0.78 IGF2BP2 (0.39) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL4449676 0.78 TDP1 (0.46) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL4453094 0.78 RAB9A (0.52) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL344539 0.77 POLB (0.38) TDP1RAB9ANPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63248863-A None JP disclosed
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
JP-S63248863-A PIGMENT COMPOSITION DAINICHI COLOR & CHEM MFG CO LTD 1988-10-17 JP disclosed