SCHEMBL31240558

SCHEMBL31240558

OB(O)c1cccc(OCc2ccccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
HPD P32754 1/20 0.49
PARP15 Q460N3 3/20 0.48
PARP10 Q53GL7 3/20 0.48
PARP14 Q460N5 1/20 0.48
ENPP2 Q13822 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
F9 P00740 1/20 0.45
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
KCNH2 Q12809 1/20 0.44
EGFR P00533 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL4317982 1.00 MAOB (0.51) MAOBHPDPARP15PARP10PARP14
SCHEMBL2558364 0.90 ENPP2 (0.46) MAOBHPDPARP15PARP10PARP14
SCHEMBL2557415 0.85 MAOB (0.50) MAOBENPP2KDM4E
SCHEMBL2557711 0.85 ENPP2 (0.45) MAOBENPP2
SCHEMBL3761511 0.83 MAOB (0.59) MAOBPARP15PARP10PARP14TSHR
SCHEMBL15332443 0.82 CCNB2 (0.52) MAOBENPP2KDM4ESPHK2SPHK1
SCHEMBL21763 0.82 NR4A2 (0.59) MAOBENPP2LMNAHTTF9
SCHEMBL29663864 0.82 NR4A2 (0.59) MAOBENPP2LMNAHTTF9
SCHEMBL22964135 0.81 MAOB (0.57) MAOBHPDPARP15PARP10PARP14
SCHEMBL2562586 0.81 MAOB (0.45) MAOBHPD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed