SCHEMBL30744015

SCHEMBL30744015

O=[N+]([O-])c1ccc(Oc2ccccc2)c(OCC2COC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.54
NTRK3 Q16288 2/20 0.54
NTRK2 Q16620 2/20 0.54
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
CYP19A1 P11511 5/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MLNR O43193 1/20 0.46
MMP1 P03956 1/20 0.46
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL21295568 1.00 NTRK1 (0.54) NTRK1NTRK3NTRK2MAPTMEN1
SCHEMBL30125863 0.79 MAPT (0.50) MAPTMEN1KMT2ACYP19A1LMNA
SCHEMBL30744019 0.79 NTRK1 (0.56) NTRK1NTRK3NTRK2MEN1KMT2A
SCHEMBL21295383 0.79 NTRK1 (0.56) NTRK1NTRK3NTRK2MEN1KMT2A
SCHEMBL21295535 0.79 CYP19A1 (0.45) MAPTMEN1KMT2ACYP19A1TSHR
SCHEMBL5553432 0.78 MAPT (0.55) NTRK1NTRK3NTRK2MAPTMEN1
SCHEMBL21295359 0.77 MEN1 (0.62) MAPTMEN1KMT2ACYP19A1LMNA
SCHEMBL21295551 0.75 NTRK1 (0.56) NTRK1NTRK3NTRK2MAPTMEN1
SCHEMBL30744010 0.75 NTRK1 (0.56) NTRK1NTRK3NTRK2MAPTMEN1
SCHEMBL21295374 0.75 MAPT (0.52) NTRK1NTRK3NTRK2MAPTMEN1

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-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed