SCHEMBL8494307

SCHEMBL8494307

C[C](C)Cc1nccn1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LPO P22079 1/20 0.41
HTT P42858 1/20 0.38
OPRK1 P41145 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL16767954 0.83 FDPS (0.49) FDPSKMT2AMEN1LPOHTT
SCHEMBL2137686 0.79 FDPS (0.49) FDPSKMT2AMEN1LPOHTT
SCHEMBL8607797 0.79 KMT2A (0.47) FDPSKMT2AMEN1LPOHTT
SCHEMBL4877813 0.78 FDPS (0.47) FDPSKMT2AMEN1LPOHTT
Hydrochloric Acid SCHEMBL9715312 0.78 FDPS (0.47) FDPSKMT2AMEN1LPOOPRK1
SCHEMBL1075052 0.78 FDPS (0.51) FDPSKMT2AMEN1LPOHTT
SCHEMBL20230 0.77
SCHEMBL4063363 0.77 FDPS (0.48) FDPSKMT2AMEN1LPOHTT
SCHEMBL7154948 0.77 FDPS (0.48) FDPSKMT2AMEN1LPOHTT
Hydrochloric Acid SCHEMBL8604193 0.76 FDPS (0.46) FDPSKMT2AMEN1LPOHTT

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-1999037636-A1 HETEROCYCLYL-DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 1999-07-29 WO disclosed