SCHEMBL28101802

SCHEMBL28101802

CCCCCCN1CCCCC1Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
ADRA1D P25100 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51
SPHK2 Q9NRA0 2/20 0.49
SPHK1 Q9NYA1 2/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL11498959 0.97 KCNH2 (0.53) KCNH2ADRA1DADRA1AADRA1B
SCHEMBL16256927 0.94 KCNH2 (0.49) KCNH2
SCHEMBL11404739 0.94 KCNH2 (0.56) KCNH2ADRA1DADRA1AADRA1BSPHK2
SCHEMBL5888789 0.86 SIGMAR1 (0.55) ADRA1DADRA1AADRA1B
SCHEMBL11469768 0.85 ADRA1A (0.51) KCNH2ADRA1DADRA1AADRA1BSPHK2
Bromide SCHEMBL8816763 0.85 ADRA1D (0.53) ADRA1DADRA1AADRA1B
SCHEMBL5888846 0.84
SCHEMBL1719051 0.84 ALDH1A1 (0.48)
SCHEMBL13316311 0.83 ADRA1D (0.47) ADRA1DADRA1AADRA1B
SCHEMBL27364546 0.83 ADRA1D (0.50) ADRA1DADRA1AADRA1B

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
CN-105986271-A Method of preparing aluminum-resin complex 株式会社日光聚合物 2016-10-05 CN disclosed