SCHEMBL29625925

SCHEMBL29625925

COCc1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
CYP2C9 P11712 3/20 0.54
LMNA P02545 3/20 0.54
CYP19A1 P11511 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MLNR O43193 1/20 0.54
MMP1 P03956 1/20 0.54
MPO P05164 1/20 0.54
GLA P06280 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TSHR P16473 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54

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
SCHEMBL23041348 1.00 KMT2A (0.54) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL14864858 0.87 MAPT (0.58) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL23292617 0.83 MAPT (0.53) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL23292590 0.83 MEN1 (0.53) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL30965503 0.83 MEN1 (0.53) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL4859909 0.82 MEN1 (0.64) KMT2AMAPTMEN1CYP19A1SMN1; SMN2
SCHEMBL18216619 0.82 TDP1 (0.58) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL4233653 0.81 ALDH1A1 (0.56) KMT2AMAPTMEN1LMNACYP19A1
SCHEMBL3811331 0.80 MEN1 (0.59) KMT2AMAPTMEN1CYP2C9LMNA
SCHEMBL30222321 0.80 MEN1 (0.59) KMT2AMAPTMEN1CYP2C9LMNA

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
EP-4021573-A1 TRIAZINE DERIVATIVES FOR TREATING DISEASES RELATING TO NEUROTROPHINS Alzecure Pharma AB (SE) 2022-07-06 EP disclosed
CN-114423743-A Triazine derivatives for the treatment of diseases associated with neurotrophic factors 阿泽克制药公司 2022-04-29 CN disclosed