SCHEMBL9737425

SCHEMBL9737425

O=C(CC(=S)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.47
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERCC5 P28715 2/20 0.40
FEN1 P39748 2/20 0.40
PTPN1 P18031 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR139 Q6DWJ6 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
SCHEMBL9737417 1.00 MME (0.47) MMEMEN1CYP3A4HPGDKMT2A
SCHEMBL6991984 0.79 SMN1; SMN2 (0.47) MEN1CYP3A4HPGDKMT2AKDM4E
SCHEMBL9352755 0.77 KMT2A (0.44) MEN1CYP3A4HPGDKMT2AKDM4E
SCHEMBL11875103 0.77 MME (0.48) MMEMEN1CYP3A4HPGDKMT2A
SCHEMBL11875098 0.77 MME (0.48) MMEMEN1CYP3A4HPGDKMT2A
SCHEMBL2791574 0.73 CA2 (0.66) MMEPTPN1CA2CA1
SCHEMBL2792747 0.73 CA2 (0.66) MMEPTPN1CA2CA1
SCHEMBL9943491 0.73 CA2 (0.66) MMEPTPN1CA2CA1
SCHEMBL9501070 0.70 MEN1 (0.63) MEN1KMT2ACA2CA1ALDH1A1
SCHEMBL11278571 0.70 NR4A2 (0.46) MEN1CYP3A4HPGDKMT2AKDM4E

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-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed