SCHEMBL30171422

SCHEMBL30171422

O=C(c1c(O)c2ccc3sc4ccccc4c3c2n(-c2ccccc2)c1=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 4/20 0.32
EGLN1 Q9GZT9 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32

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
SCHEMBL24864991 1.00 RECQL (0.36) RECQLMAOAMAOBMAPK1TP53
SCHEMBL24864715 0.86 RECQL (0.37) RECQLMAPK1TP53EGLN1RXFP1
SCHEMBL24864738 0.85 RECQL (0.39) RECQLMAOAMAOBMAPK1TP53
SCHEMBL24864800 0.81 TP53 (0.35) RECQLTP53EGLN1RXFP1KMT2A
SCHEMBL24864744 0.80 RECQL (0.40) RECQLMAPK1TP53KMT2AMEN1
SCHEMBL24864990 0.80 LMNA (0.38) RECQLMAOAMAPK1TP53RXFP1
SCHEMBL24864993 0.79 RECQL (0.41) RECQLMAPK1TP53EGLN1KMT2A
SCHEMBL24865255 0.78 MAPT (0.36) TP53EGLN1RXFP1KMT2AMEN1
SCHEMBL30171448 0.78 MAPT (0.36) TP53EGLN1RXFP1KMT2AMEN1
SCHEMBL24864741 0.78 RECQL (0.38) RECQLMAPK1TP53EGLN1RXFP1

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
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed