SCHEMBL31403193

SCHEMBL31403193

COC(=O)c1ccc2ccccc2c1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.51
▸ CYP11B2 P19099 2/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ NR4A2 P43354 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL14134529 0.84 MAPT (0.56) NR4A2KMT2AMAPTMEN1KDM4E
SCHEMBL30356865 0.81 MAPT (0.61) NR4A2KMT2AMAPTMEN1KDM4E
SCHEMBL593520 0.81 MAPT (0.61) NR4A2KMT2AMAPTMEN1KDM4E
SCHEMBL28344596 0.79 ALDH1A1 (0.53) CYP11B1CYP11B2CYP19A1NR4A2MAPK1
SCHEMBL16384877 0.78 SLC6A3 (0.62) NR4A2KMT2AMAPTMEN1KDM4E
SCHEMBL27585150 0.77 MAPK1 (0.52) CYP11B1CYP11B2CYP19A1NR4A2MAPK1
SCHEMBL13152864 0.77 SLC6A3 (0.57) NR4A2KMT2AMAPTMEN1KDM4E
SCHEMBL19435511 0.76 MAPT (0.62) CYP11B1CYP11B2CYP19A1KMT2AMAPT
SCHEMBL16384835 0.76 MAPT (0.56) NR4A2MAPK1KMT2AMAPTMEN1
SCHEMBL30118927 0.76 KMT2A (0.61) CYP11B1CYP11B2CYP19A1NR4A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462492-A Method for preparing 3-pyridyl-2-methyl naphthoate compound by catalysis 湖州学院 2025-02-18 — — CN claimed
CN-119462492-A Method for preparing 3-pyridyl-2-methyl naphthoate compound by catalysis 湖州学院 2025-02-18 — — CN disclosed
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