SCHEMBL9958692

SCHEMBL9958692

Fc1ccc(CCNCc2ccc(C3CCC3)cc2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
PARP1 P09874 1/20 0.37
NR3C2 P08235 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL9958090 0.98 EPHX1 (0.40) EPHX1S1PR1S1PR3USP28USP25
SCHEMBL5177540 0.95 JAK2 (0.39) EPHX1USP28USP25P2RX7PTPN7
SCHEMBL3573470 0.81 PARP1 (0.55) PARP1
SCHEMBL3584471 0.79 L3MBTL1 (0.58) L3MBTL1
SCHEMBL3577225 0.78 PARP1 (0.53) EPHX1PARP1
SCHEMBL5187968 0.77 USP28 (0.42) USP28USP25PTPN7DUSP3PARP1
SCHEMBL3243287 0.77 PTPN7 (0.51) USP28USP25PTPN7DUSP3NR3C2
SCHEMBL3573452 0.76 CA12 (0.51) EPHX1
SCHEMBL3576422 0.76 CYP1A2 (0.52)
SCHEMBL12521795 0.75 SCN9A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed