SCHEMBL16612937

SCHEMBL16612937

Nc1sccc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
LTA4H P09960 1/20 0.40
ALOX5 P09917 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL371748 0.77 CALM1 (0.46) CALM1HTR2AMEN1KMT2AHSD17B10
SCHEMBL10947990 0.75 CALM1 (0.44) CALM1HTR2AMEN1KMT2AHSD17B10
SCHEMBL27904505 0.75 CALM1 (0.44) CALM1HTR2AALDH1A1MEN1KMT2A
SCHEMBL7211474 0.73 EDNRB (0.48) CALM1HTR2ABCL2BCL2L1
SCHEMBL5117305 0.72 BCL2 (0.44) CALM1HTR2AMEN1KMT2AHSD17B10
SCHEMBL30979860 0.72 MAPK8 (0.54) ALDH1A1KMT2AUSP2HSD17B10BCL2
SCHEMBL15877228 0.71 PTPRC (0.54) BCL2BCL2L1NPSR1
SCHEMBL29049113 0.71 CALM1 (0.39) CALM1HTR2AMEN1KMT2ABCL2
SCHEMBL972711 0.69 CALM1 (0.69) CALM1HTR2AMEN1KMT2AHSD17B10
SCHEMBL28362526 0.69 HTR2A (0.56) CALM1HTR2AALDH1A1MEN1KMT2A

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-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP claimed