SCHEMBL4444755

SCHEMBL4444755

C=C(C)C(=O)Oc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 6/20 0.40
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
ELANE P08246 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL4444701 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4447229 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11028571 0.80 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL31558927 0.78 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4453106 0.78 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL285733 0.77 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29575333 0.77 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4443402 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4441549 0.77 IGF2BP2 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL93326 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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