SCHEMBL9958090

SCHEMBL9958090

Fc1ccc(CCNCc2ccc(C3CCCC3)cc2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
CXCL12 P48061 1/20 0.38
CXCR4 P61073 1/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
P2RX7 Q99572 1/20 0.37
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
NR3C2 P08235 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
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
SCHEMBL9958692 0.98 EPHX1 (0.38) EPHX1S1PR1S1PR3USP1WDR48
SCHEMBL5177540 0.95 JAK2 (0.39) EPHX1USP28USP25P2RX7PTPN7
SCHEMBL3577225 0.81 PARP1 (0.53) EPHX1
SCHEMBL3573470 0.78 PARP1 (0.55)
SCHEMBL3243287 0.77 PTPN7 (0.51) USP28USP25PTPN7DUSP3NR3C2
SCHEMBL5187968 0.77 USP28 (0.42) USP28USP25PTPN7DUSP3NR3C2
SCHEMBL3584471 0.76 L3MBTL1 (0.58) L3MBTL1
SCHEMBL5177159 0.76 CYP2D6 (0.52) CXCL12CXCR4HTR2CHTR2B
SCHEMBL3569059 0.75 KDM4E (0.52) HTR2C
SCHEMBL3573452 0.73 CA12 (0.51) EPHX1CXCL12CXCR4

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