SCHEMBL9449097

SCHEMBL9449097

CC(=O)Oc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPKAPK2 P49137 5/20 0.39
MAPKAPK5 Q8IW41 2/20 0.39
MAPKAPK3 Q16644 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
PRKCB P05771 1/20 0.38
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HTR1D P28221 1/20 0.35
CA2 P00918 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
SCHEMBL9448864 0.91 GAA (0.47) LMNASMN1; SMN2KDM4EGAAGLA
SCHEMBL9448869 0.89 MAPKAPK2 (0.41) LMNASMN1; SMN2MAPKAPK2MAPKAPK5MAPKAPK3
SCHEMBL9449136 0.89 LMNA (0.38) LMNASMN1; SMN2MAPKAPK2MAPKAPK5MAPKAPK3
SCHEMBL9448900 0.88 MAPKAPK2 (0.40) LMNASMN1; SMN2MAPKAPK2MAPKAPK5MAPKAPK3
SCHEMBL9448767 0.85 MCHR1 (0.50) SMN1; SMN2MAPKAPK2MAPKAPK5MAPKAPK3KDM4E
SCHEMBL9449189 0.83 MCHR1 (0.40) MAPKAPK2MAPKAPK5MAPKAPK3KDM4EMCHR1
SCHEMBL9448822 0.82 KDM4E (0.47) MAPKAPK2KDM4EGLAMCHR1ALDH1A1
SCHEMBL9448904 0.80 KDM4E (0.41) MAPKAPK2KDM4EMCHR1ALDH1A1HSD17B10
SCHEMBL9449066 0.80 CYP1A2 (0.40) GAAMCHR1HSD17B10HTR1D
SCHEMBL9449046 0.80 KMT2A (0.36) MAPKAPK2KDM4EGAAGLAALDH1A1

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-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US disclosed