SCHEMBL4445592

SCHEMBL4445592

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 10/20 0.40
NPC1 O15118 9/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL4453728 0.87 TDP1 (0.45) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL320934 0.82 NPC1 (0.47) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL4447500 0.81 ALDH1A1 (0.44) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3380577 0.80 BAZ1A (0.39) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL4445498 0.79 ELANE (0.36) TDP1RAB9ANPC1ALDH1A1KDM4E
Acetic Acid SCHEMBL2229999 0.76 CA2 (0.44) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL30887146 0.76 RAB9A (0.54) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3376787 0.76 RAB9A (0.54) TDP1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL4443426 0.75 TYR (0.30)
SCHEMBL4449676 0.75 TDP1 (0.46) TDP1RAB9ANPC1ALDH1A1KDM4E

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