SCHEMBL8692811

SCHEMBL8692811

CCOC(=O)Cc1c(C)ncnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL2062932 0.92 SMN1; SMN2 (0.44) KDM4ETDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7509440 0.85 KDM4E (0.42) KDM4EL3MBTL1MAPK1SMN1; SMN2LMNA
SCHEMBL12590746 0.84 SMN1; SMN2 (0.46) KDM4ETDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7498077 0.80 AKR1B1 (0.41) KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL12590776 0.77 CYP1A2 (0.44) TDP1L3MBTL1SMN1; SMN2HSD17B10TSHR
SCHEMBL2063964 0.76 MAPK1 (0.46) KDM4ETDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL27284948 0.75 MAPK1 (0.50) KDM4ETDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL12651960 0.75 MAPK1 (0.57) KDM4ETDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL30959611 0.75 SMN1; SMN2 (0.39) L3MBTL1MAPK1SMN1; SMN2LMNAMEN1
SCHEMBL2062770 0.74 ALDH1A1 (0.42) KDM4EL3MBTL1SMN1; SMN2LMNAHSD17B10

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-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed