SCHEMBL16622986

SCHEMBL16622986

CC1(C)OB(c2ccc(OCCNC3CC3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
FOXM1 Q08050 1/20 0.39
DGAT1 O75907 1/20 0.39

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
SCHEMBL14293299 0.92 KDM4E (0.48) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL19467911 0.81 HTR1B (0.50) CA1CA2CA9LPLLIPG
SCHEMBL427591 0.81 CA1 (0.56) CA1CA2CA9LPLLIPG
SCHEMBL16178844 0.79 CA1 (0.46) CA1CA2CA9HPGDLPL
SCHEMBL29455775 0.78 CA1 (0.50) CA1CA2CA9LPLLIPG
SCHEMBL1561199 0.78 LPL (0.49) CA1CA2CA9LPLLIPG
SCHEMBL25405585 0.78 LPL (0.53) CA1CA2CA9LPLLIPG
SCHEMBL428836 0.78 LPL (0.53) CA1CA2CA9LPLLIPG
SCHEMBL430495 0.78 LPL (0.53) CA1CA2CA9LPLLIPG
SCHEMBL428838 0.78 LPL (0.53) CA1CA2CA9LPLLIPG

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
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed