SCHEMBL4438709

SCHEMBL4438709

C=C(C)C(=O)Oc1ccc2nn(-c3cc(C(C)(C)C)ccc3O)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
ATM Q13315 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1I2 O75469 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL28880295 0.85 NPC1 (0.39) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4439833 0.85 NPC1 (0.54) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4453092 0.83 ELANE (0.43) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL93326 0.83 NPC1 (0.52) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL29384504 0.83 NPC1 (0.52) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL5178883 0.82 NPC1 (0.39) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4442083 0.81 NPC1 (0.34) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4992804 0.80 NPC1 (0.35) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL3510761 0.80 LMNA (0.36) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4445498 0.80 ELANE (0.36) NPC1RAB9AKMT2AATMSMN1; SMN2

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