SCHEMBL14705669

SCHEMBL14705669

CC1CCc2ccccc2N1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
ESR1 P03372 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
TSHR P16473 2/20 0.46
CHRM3 P20309 1/20 0.44
PDK1 Q15118 6/20 0.43
PDK2 Q15119 6/20 0.43
PDK3 Q15120 6/20 0.43
PDK4 Q16654 6/20 0.43
SRD5A1 P18405 2/20 0.43
NOTUM Q6P988 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL14705297 0.82 NOTUM (0.55) SMN1; SMN2CHRM2CHRM4CHRM1CHRM3
SCHEMBL811848 0.78 POLB (0.51) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL9230128 0.78 POLB (0.51) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL15222054 0.78 POLB (0.51) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL29659945 0.78 POLB (0.51) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL23346885 0.77 PLAU (0.42) GAASMN1; SMN2CHRM2CHRM1TSHR
SCHEMBL9396982 0.77 GAA (0.50) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL28846544 0.77 POLB (0.47) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL6114443 0.77 POLB (0.47) POLBGAAESR1L3MBTL1SMN1; SMN2
SCHEMBL24176565 0.74 ESR1 (0.44) POLBGAAESR1L3MBTL1SMN1; 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
WO-2013021044-A1 1,2,4-TRIAZOLYL-SUBSTITUTED KETO-ENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 WO disclosed