SCHEMBL17082255

SCHEMBL17082255

CC1=Cc2c(cccc2N2c3ccccc3CCC2C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM4 P08173 2/20 0.38
TSHR P16473 1/20 0.38
CHRM3 P20309 1/20 0.37
PDK1 Q15118 5/20 0.36
PDK2 Q15119 5/20 0.36
PDK3 Q15120 5/20 0.36
PDK4 Q16654 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 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
SCHEMBL17171844 0.80 L3MBTL1 (0.39) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL13723399 0.79 POLB (0.47) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL17169026 0.77 L3MBTL1 (0.37) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL19337848 0.77 L3MBTL1 (0.34) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL17952991 0.73 ROCK1 (0.35) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL19336716 0.73 ROCK1 (0.35) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL17074033 0.73 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL17082259 0.71 TSHR (0.33) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL17952996 0.71 CHRM2 (0.34) L3MBTL1ESR1POLBGAASMN1; SMN2
SCHEMBL17952998 0.70 ESR1 (0.41) L3MBTL1ESR1POLBGAASMN1; SMN2

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-2918591-A1 NOVEL LIGAND COMPOUND, PREPARATION METHOD THEREFOR, TRANSITION METAL COMPOUND, AND PREPARATION METHOD THEREFOR LG Chem, Ltd. (KR) 2015-09-16 EP disclosed