SCHEMBL28035934

SCHEMBL28035934

COC(C)OCc1ccccn1.FC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
PARP10 Q53GL7 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL28035933 0.95 SYK (0.43) SYKAURKBINCENPPARP10PGR
SCHEMBL740172 0.79 ALDH1A1 (0.46) SYKAURKBINCENPPARP10PGR
SCHEMBL2455644 0.79 SYK (0.41) SYKAURKBINCENPPGRADORA3
SCHEMBL22356605 0.76 ALDH1A1 (0.44) SYKAURKBINCENPPARP10PGR
SCHEMBL16215568 0.76 ABCB1 (0.44) SYKAURKBINCENPPARP10PGR
SCHEMBL3432984 0.75 PGR (0.44) SYKAURKBINCENPPARP10PGR
SCHEMBL10237746 0.75 PGR (0.43) SYKAURKBINCENPPARP10PGR
SCHEMBL10202636 0.73 PGR (0.45) SYKAURKBINCENPPARP10PGR
SCHEMBL29424113 0.73
SCHEMBL754866 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102887855-B Containing pyridine ion liquid, its preparation method and application OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO.,LTD. (CN) 2015-10-28 CN disclosed