SCHEMBL21689285

SCHEMBL21689285

CCOC(=O)c1cc2ncc(C(O)CBr)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 8/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
NR4A1 P22736 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL1080204 0.80 RECQL (0.59) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL8218552 0.80 GRM5 (0.46) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL21639146 0.79 LMNA (0.44) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL17460385 0.78 KDM4E (0.47) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL12942831 0.78 ESR2 (0.43) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL1077910 0.78 LMNA (0.49) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL21639018 0.77 LMNA (0.47) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL25097587 0.76 RAB9A (0.46) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL21639386 0.72 RAB9A (0.48) KMT2AESR2ESR1RECQLKDM4E
SCHEMBL23534283 0.72 RECQL (0.40) KMT2AESR2ESR1RECQLKDM4E

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-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed