SCHEMBL28055458

SCHEMBL28055458

Nc1cccc(C(=O)c2cc[c]cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.72
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 1/20 0.54
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9097509 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL203373 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL29492473 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL29363032 0.86 PBRM1 (0.87) PBRM1NPC1MITFLMNAPOLB
SCHEMBL125621 0.86 PBRM1 (0.87) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9282073 0.86 PBRM1 (0.87) PBRM1NPC1MITFLMNAPOLB
SCHEMBL147608 0.84 PBRM1 (1.00) PBRM1NPC1MITFLMNAPOLB
SCHEMBL29492479 0.84 PBRM1 (0.83) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9101086 0.84 PBRM1 (0.83) PBRM1NPC1MITFLMNAPOLB
Hydrochloric Acid SCHEMBL8643223 0.84 PBRM1 (0.83) PBRM1NPC1MITFLMNAPOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069918-B Method for preparing 3-difluoromethyl isoxazole compound by one-pot method 江西师范大学 2021-05-28 CN claimed
CN-108069918-A Method for preparing 3-difluoromethyl isoxazole compound by one-pot method 江西师范大学 2018-05-25 CN claimed
CN-107963996-A Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method 江西师范大学 2018-04-27 CN claimed
CN-107963996-B Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method 江西师范大学 2021-06-11 CN disclosed
CN-108069918-B Method for preparing 3-difluoromethyl isoxazole compound by one-pot method 江西师范大学 2021-05-28 CN disclosed
CN-105392838-B Composition epoxy resin, prepreg and carbon fibre reinforced composite 东丽株式会社 2018-12-14 CN disclosed
CN-108069918-A Method for preparing 3-difluoromethyl isoxazole compound by one-pot method 江西师范大学 2018-05-25 CN disclosed
CN-107963996-A Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method 江西师范大学 2018-04-27 CN disclosed
CN-105392838-A Epoxy resin composition, prepreg, and carbon fiber-reinforced composite material TORAY INDUSTRIES 2016-03-09 CN disclosed