SCHEMBL31123713

SCHEMBL31123713

Nc1nc2cc(O)ccc2cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.39
ESR1 P03372 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 1/20 0.35
HTT P42858 2/20 0.35
PLAU P00749 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ACHE P22303 2/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL21682238 1.00 ESR2 (0.39) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL21682209 0.79 BACE1 (0.50) MEN1KMT2AALDH1A1CYP1A2HTT
SCHEMBL30002881 0.79 BACE1 (0.50) MEN1KMT2AALDH1A1CYP1A2HTT
SCHEMBL31123709 0.77 TLR8 (0.49) MEN1KMT2AALDH1A1GAAACHE
SCHEMBL21683406 0.73 CA12 (0.45) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL18572912 0.73 ESR2 (0.42) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL31296110 0.70 MEN1 (0.52) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL6240232 0.70 MEN1 (0.52) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL10733095 0.68 ESR2 (0.50) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL10733080 0.68 ESR2 (0.50) ESR2ESR1MEN1KMT2AALDH1A1

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-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed