SCHEMBL25823938

SCHEMBL25823938

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(=O)CN=O)CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
PIM1 P11309 1/20 0.46
ELANE P08246 8/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CTSG P08311 1/20 0.40
ELAVL1 Q15717 1/20 0.38
CTH P32929 1/20 0.38
S100A4 P26447 3/20 0.38
HSP90AA1 P07900 2/20 0.38
PAX8 Q06710 2/20 0.38
THRB P10828 3/20 0.37
HIF1A Q16665 2/20 0.37
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8171745 0.89 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL13444092 0.89 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23022615 0.89 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL16848014 0.88 EGFR (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL19789618 0.88 EGFR (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23022613 0.87 ELANE (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23022621 0.86 EGFR (0.46) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL22873368 0.86 EGFR (0.51) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL21886965 0.86 EGFR (0.51) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL11395596 0.86 EGFR (0.51) EGFRPIM1ELANEMEN1KMT2A

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-3154594-B1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2023-07-19 EP disclosed