SCHEMBL30977274

SCHEMBL30977274

Nc1ccc(C2(c3ccc(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
OPRK1 P41145 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
AKR1C1 Q04828 1/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35

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
SCHEMBL5968601 1.00 MEN1 (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30952102 0.83 MEN1 (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6138389 0.83 MEN1 (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL283244 0.82 ESR1 (0.65) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL29412612 0.82 ESR1 (0.65) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL29579448 0.82 ESR1 (0.65) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22287234 0.81 MAPT (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL101126 0.79 MAPT (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2832176 0.79 ESR1 (0.65) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2405956 0.79 MEN1 (0.56) MEN1KMT2AMAPTKDM4ELMNA

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
CN-118256128-A Intrinsic antibacterial powder coating composition and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-06-28 CN disclosed