SCHEMBL4445489

SCHEMBL4445489

C=C(C)C(=O)Nc1cc(C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
POLB P06746 4/20 0.51
LMNA P02545 1/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.37
RECQL P46063 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
SCHEMBL4441567 0.85 NPC1 (0.39) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL344539 0.84 POLB (0.38) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL4451036 0.81 NPC1 (0.44) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL16191289 0.80 POLB (0.36) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL20365734 0.80 NPC1 (0.66) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8809730 0.80 NPC1 (0.50) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL20363906 0.79 NPC1 (0.64) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8432060 0.78 RAB9A (0.50) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL345326 0.77 CNR2 (0.35) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4444701 0.77 NPC1 (0.56) NPC1RAB9APOLBLMNAALDH1A1

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 5 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
US-4496650-A CYAN IMAGE FORMING POLYMER COUPLER LATEX FUJI PHOTO FILM CO., LTD. (JP) 1985-01-29 US disclosed