SCHEMBL4445498

SCHEMBL4445498

C=C(C)C(=O)Oc1ccc2nn(-c3cccc(C(C)(C)C)c3O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ATM Q13315 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL26663498 0.86 NPC1 (0.39) ELANEATMTDP1NPC1RAB9A
SCHEMBL4441549 0.86 IGF2BP2 (0.39) ELANEATMTDP1NPC1RAB9A
SCHEMBL4453092 0.82 ELANE (0.43) ELANEATMTDP1NPC1RAB9A
SCHEMBL14520904 0.82 CA2 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL2777176 0.81 NPC1 (0.41) ELANEATMTDP1NPC1RAB9A
SCHEMBL4443426 0.81 TYR (0.30) CA2
SCHEMBL4438709 0.80 NPC1 (0.37) ELANEATMTDP1NPC1RAB9A
SCHEMBL4445592 0.79 TDP1 (0.41) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24454625 0.77 SMN1; SMN2 (0.36) ELANEATMTDP1NPC1RAB9A
SCHEMBL22451169 0.77 NPC1 (0.34) ELANEATMTDP1NPC1RAB9A

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