SCHEMBL5490305

SCHEMBL5490305

O=C(NC1CC1)c1ccc(C(F)(F)F)c(Cl)c1.O=C(O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
EPHX2 P34913 2/20 0.49
RAF1 P04049 1/20 0.49
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CRHR1 P34998 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RORC P51449 1/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 2/20 0.44
MAPK11 Q15759 1/20 0.43

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
SCHEMBL5498972 0.96 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2EPHX2RAF1
SCHEMBL24960538 0.90 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL29624981 0.84 TSHR (0.59) MAPTRORCNOTUMMRGPRX4
SCHEMBL1920001 0.84 TSHR (0.59) MAPTRORCNOTUMMRGPRX4
SCHEMBL22468487 0.79 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2NPC1MEN1
SCHEMBL27680624 0.79 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2NPC1MEN1
SCHEMBL12672349 0.79 HPGD (0.66) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11627790 0.78 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL531505 0.77 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2NPC1MEN1
SCHEMBL5310506 0.76 MEN1 (0.51) TAS1R3TAS1R2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed