SCHEMBL28111108

SCHEMBL28111108

Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.FC(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HMGCR P04035 6/20 0.35
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
TSHR P16473 1/20 0.33
CCR4 P51679 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL37832 0.90 ALDH1A1 (0.40) HSD17B10KDM4EHMGCRALDH1A1CA2
Bromide SCHEMBL10759230 0.87 HSD17B10 (0.39) HSD17B10KDM4EHMGCRALDH1A1CA2
SCHEMBL15726902 0.84 HSP90AA1 (0.45) HSD17B10KDM4EALDH1A1CA2POLB
SCHEMBL16350907 0.84 HSD17B10 (0.34) HSD17B10KDM4EHMGCRALDH1A1CA2
SCHEMBL2897692 0.79 CCR4 (0.41) HSD17B10KDM4EALDH1A1CA2POLB
SCHEMBL19156103 0.79 KDM4E (0.38) HSD17B10KDM4EALDH1A1CA2POLB
SCHEMBL16852469 0.79 SMN1; SMN2 (0.38) HSD17B10KDM4EHMGCRALDH1A1CA2
SCHEMBL12871593 0.78 NOS3 (0.46) HSD17B10KDM4EALDH1A1CA2POLB
SCHEMBL12460586 0.76 NOS3 (0.53) HSD17B10KDM4EHMGCRALDH1A1CA2
SCHEMBL23872483 0.74 HRH4 (0.36) HSD17B10KDM4EALDH1A1CA2POLB

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
CN-110023425-A Powdered thermosetting compositions for coatings comprising dilauroyl peroxide 帝斯曼知识产权资产管理有限公司 2019-07-16 CN disclosed
CN-109983091-A Powdered thermosetting compositions for coatings with lower no dusting temperature 帝斯曼知识产权资产管理有限公司 2019-07-05 CN disclosed
CN-109983089-A Powdered thermosetting compositions for coatings comprising peroxy dicarbonate 帝斯曼知识产权资产管理有限公司 2019-07-05 CN disclosed
CN-106146586-A The preparation method of (2 ' R)-2 '-deoxidation-2 '-fluoro-2 '-methyluridine, 3 ', 5 '-dibenzoate 厦门蔚扬药业有限公司 2016-11-23 CN disclosed