SCHEMBL31539941

SCHEMBL31539941

Nc1oc2cccc(Br)c2c1-c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 6/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 5/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C3 P42330 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
ADORA2A P29274 1/20 0.37
CASP1 P29466 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL32673238 0.79 MAPT (0.45) MAPTPOLBGAAKMT2ANPC1
SCHEMBL19567835 0.76 AKR1C3 (0.41) MAPTPOLBGAAKMT2ANPC1
SCHEMBL26819936 0.72 NPC1 (0.63) MAPTPOLBKMT2ANPC1MEN1
SCHEMBL28072751 0.72 AKR1C3 (0.53) MAPTPOLBGAAKMT2AMEN1
SCHEMBL15626666 0.71 MAPT (0.58) MAPTPOLBGAAKMT2AMEN1
SCHEMBL30453594 0.71 MAPT (0.58) MAPTPOLBGAAKMT2AMEN1
SCHEMBL31539944 0.69 MAPK14 (0.45) MAPTPOLBGAAKMT2ANPC1
SCHEMBL28857397 0.69 TP53 (0.50) MAPTPOLBGAAKMT2ANPC1
SCHEMBL723657 0.68 AKR1C3 (0.61) MAPTPOLBGAAKMT2ANPC1
SCHEMBL29913321 0.68 AKR1C3 (0.61) MAPTPOLBGAAKMT2ANPC1

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-119698419-A Material for organic electroluminescent device 默克专利有限公司 2025-03-25 CN disclosed