SCHEMBL4444701

SCHEMBL4444701

C=C(C)C(=O)Oc1cc(C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IGF2BP2 Q9Y6M1 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.35

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
SCHEMBL29575333 0.85 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL285733 0.85 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4447229 0.84 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4444755 0.83 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4443402 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL20363911 0.80 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4445959 0.79 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL20365735 0.79 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4445489 0.77 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL2777176 0.76 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2POLB

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