SCHEMBL30633296

SCHEMBL30633296

Nc1cccc(OCc2ccccc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
HPD P32754 1/20 0.52
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
APP P05067 1/20 0.51
PARP15 Q460N3 3/20 0.51
PARP10 Q53GL7 3/20 0.51
PARP14 Q460N5 1/20 0.51
IDO1 P14902 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
F9 P00740 1/20 0.47
KCNH2 Q12809 1/20 0.46
EGFR P00533 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL4638459 1.00 MAOB (0.60) MAOBHPDTP53CYP3A4APP
SCHEMBL4639016 0.89 MAOB (0.54) MAOBHPDTP53CYP3A4APP
SCHEMBL4639200 0.84 IDO1 (0.53) MAOBTP53CYP3A4APPIDO1
SCHEMBL4638434 0.84 MAOB (0.53) MAOBTP53CYP3A4APPTSHR
SCHEMBL4639240 0.83 MAOB (0.56) MAOBHPDTP53CYP3A4APP
SCHEMBL4638735 0.83 MAOB (0.49) MAOBHPDTP53CYP3A4APP
SCHEMBL31172133 0.83 MAOB (0.59) MAOBTP53CYP3A4APPKDM4E
SCHEMBL4638517 0.83 MAOB (0.59) MAOBTP53CYP3A4APPKDM4E
SCHEMBL4638691 0.81 HPD (0.56) MAOBHPDTP53CYP3A4APP
SCHEMBL22964135 0.81 MAOB (0.57) MAOBHPDAPPPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
CN-113264874-B Substituted diaryl urea derivative and preparation method and application thereof 华东理工大学 2024-12-03 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed