SCHEMBL17049859

SCHEMBL17049859

Cc1cc2c(c(C3CCc4ccccc43)c1)N(C)CCC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
GID4 Q8IVV7 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 2/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL17049860 0.85 SIGMAR1 (0.41) SIGMAR1GID4HTR1ACHRNA7
SCHEMBL17049861 0.72 ALDH1A1 (0.34) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL12288815 0.70 MET (0.42) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL15338767 0.69 ALDH1A1 (0.40) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL8849605 0.67 DDB1 (0.53) SIGMAR1
SCHEMBL20856099 0.67 GID4 (0.58) SIGMAR1GID4MEN1ALDH1A1HPGD
SCHEMBL12330396 0.67 NOTUM (0.39) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL9675977 0.66 ALDH1A1 (0.49) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL14283849 0.66 DRD1 (0.47) ALDH1A1MAPTHPGD
SCHEMBL11816393 0.66 SMN1; SMN2 (0.45) SIGMAR1GID4ALDH1A1

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-9120836-B2 Method for preparing transition metal complexes, transition metal complexes prepared using the method, catalyst composition containing the complexes LG CHEM, LTD. (KR) 2015-09-01 US disclosed