SCHEMBL11599594

SCHEMBL11599594

CCOc1nnc2cc(Cl)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.50
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
EHMT2 Q96KQ7 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
MAT2A P31153 1/20 0.37
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11601656 0.87 PIK3CG (0.47) PIK3CGKMT2AHRH4KDM4EMAPT
SCHEMBL11601596 0.86 PIK3CG (0.46) PIK3CGKMT2ATSHRMEN1ALDH1A1
SCHEMBL11603861 0.83 PDE2A (0.45) PIK3CGKMT2AMEN1
SCHEMBL11603303 0.83 PIK3CG (0.46) PIK3CGKMT2AHRH4KDM4EMAPT
SCHEMBL11602557 0.82 PIK3CG (0.49) PIK3CGKMT2AHRH4KDM4EMAPT
SCHEMBL11602126 0.81 PIK3CG (0.55) PIK3CGPOLBKMT2AHRH4KDM4E
SCHEMBL11601650 0.81 PIK3CG (0.47) PIK3CGKMT2AHRH4KDM4EMAPT
SCHEMBL11602806 0.80 PIK3CG (0.41) PIK3CGKMT2AGAAKDM4EMEN1
SCHEMBL11602708 0.80 PIK3CG (0.46) PIK3CGKMT2ATSHRGAAHPGD
SCHEMBL11600636 0.79 ALDH1A1 (0.50) POLBKMT2AHPGDKDM4EMAPT

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
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed