SCHEMBL30744010

SCHEMBL30744010

O=[N+]([O-])c1ccc(Oc2ccccc2)c(OC2CCOC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.56
NTRK3 Q16288 1/20 0.56
NTRK2 Q16620 1/20 0.56
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
SLC6A4 P31645 3/20 0.45
CYP19A1 P11511 3/20 0.45
LMNA P02545 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MLNR O43193 1/20 0.45
MMP1 P03956 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 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
SCHEMBL21295551 1.00 NTRK1 (0.56) NTRK1NTRK3NTRK2MEN1KMT2A
SCHEMBL21295533 0.84 CYP19A1 (0.53) MEN1KMT2AMAPTSLC6A4CYP19A1
SCHEMBL1157591 0.83 PDE4D (0.55) KMT2ALMNASMN1; SMN2PDE4DPDE4A
SCHEMBL1157300 0.81 PDE4D (0.57) MEN1KMT2AMAPTCYP19A1LMNA
SCHEMBL29125419 0.81 PDE4D (0.55) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL29125417 0.81 PDE4D (0.55) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL16385491 0.79 TDP1 (0.51) MEN1KMT2AMAPTCYP19A1CYP1A2
SCHEMBL21295348 0.79 CYP19A1 (0.42) MEN1KMT2AMAPTCYP19A1CYP1A2
SCHEMBL21295363 0.79 NTRK1 (0.58) NTRK1NTRK3NTRK2SLC6A4SLC6A2
SCHEMBL31481195 0.79 HSPB1 (0.45) MEN1KMT2AMAPTCYP19A1CYP1A2

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