SCHEMBL30285353

SCHEMBL30285353

Brc1cccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.37
PRNP P04156 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
GAA P10253 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33
FABP4 P15090 1/20 0.33
NR4A2 P43354 1/20 0.33
MAPT P10636 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL26697301 1.00 MEN1 (0.40) MEN1KMT2AATMPRNPNPC1
SCHEMBL27819244 0.85 MEN1 (0.47) MEN1KMT2AATMNPC1SMN1; SMN2
Phosphine SCHEMBL27957327 0.83 MEN1 (0.46) MEN1KMT2AATMNPC1SMN1; SMN2
SCHEMBL28789332 0.79 FABP4 (0.47) MEN1KMT2AATMPRNPNPC1
SCHEMBL6597786 0.78 AKR1C3 (0.55) MEN1KMT2AATMPRNPALDH1A1
SCHEMBL29683548 0.78 AKR1C3 (0.55) MEN1KMT2AATMPRNPALDH1A1
SCHEMBL31502529 0.76 AKR1C3 (0.53) MEN1KMT2AATMPRNPALDH1A1
SCHEMBL2156069 0.76 CES2 (0.54) MEN1KMT2APRNPNPC1SMN1; SMN2
SCHEMBL28585473 0.73 SNCA (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL30285373 0.73 SNCA (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1PTPN1

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-111423462-B Tetraphenyl ethylene borate pyridine salt, preparation method and application thereof, and reagent and method for detecting fructose 河北大学 2023-03-31 CN disclosed