SCHEMBL16624985

SCHEMBL16624985

C[C@]1(COc2ccc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)cc2)Cn2cc(I)nc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
PTGS1 P23219 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
RXRA P19793 5/20 0.40
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
P2RY14 Q15391 1/20 0.36
PTGS2 P35354 3/20 0.35
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
FLT3 P36888 1/20 0.33

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
SCHEMBL16624950 0.90 KCNH2 (0.42) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL16624873 0.89 KCNH2 (0.42) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL16618270 0.86 KCNH2 (0.78) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL16624874 0.85 KCNH2 (0.43) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL16624945 0.82 FLT3 (0.49) KCNH2PTGS1SLC6A2SLC6A4RXRA
SCHEMBL16624876 0.79 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL18031082 0.78 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL16624949 0.77 KCNH2 (0.63) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL16618280 0.76 KCNH2 (0.63) KCNH2PTGS1SLC6A2SLC6A4CA1
SCHEMBL18011988 0.76 KCNH2 (0.62) KCNH2PTGS1SLC6A2SLC6A4CA1

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
WO-2015049693-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-09 WO disclosed