SCHEMBL9864475

SCHEMBL9864475

O=C1CN(SSc2ccccc2)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
CRBN Q96SW2 5/20 0.36
DDB1 Q16531 3/20 0.36
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PTPN1 P18031 1/20 0.32
MAOA P21397 1/20 0.31

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
SCHEMBL62940 0.81 MAPT (0.46) MAPTHSD17B10CRBNDDB1EPHX2
SCHEMBL22498758 0.70 CRBN (0.35) MAPTHPGDSMN1; SMN2CRBNDDB1
SCHEMBL9751662 0.70 CRBN (0.35) MAPTHSD17B10SMN1; SMN2CRBNDDB1
Alanine SCHEMBL6904183 0.69 ALDH1A1 (0.36) MAPTHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL9701179 0.67 TDP2 (0.35) MAPTHSD17B10MGLLALDH1A1KDM4E
SCHEMBL8661737 0.67 EPHX2 (0.43) HSD17B10HPGDSMN1; SMN2CRBNDDB1
SCHEMBL1421444 0.64 CRBN (0.41) MAPTMGLLCRBNDDB1ALDH1A1
SCHEMBL8699047 0.63
SCHEMBL9849560 0.63
SCHEMBL8880520 0.63

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-5049507-A Method of C-terminal peptide sequencing APPLIED BIOSYSTEMS, INC. (US) 1991-09-17 US disclosed