SCHEMBL30744006

SCHEMBL30744006

CC(C)Oc1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CYP19A1 P11511 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MLNR O43193 1/20 0.55
MMP1 P03956 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL21295542 1.00 MAPT (0.55) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL11835883 0.85 CYP19A1 (0.61) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL3811331 0.84 MEN1 (0.59) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL30222321 0.84 MEN1 (0.59) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL3820703 0.80 HTT (0.60) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL31081103 0.80 HTT (0.60) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL5553432 0.80 MAPT (0.55) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL1553699 0.79 MAPT (0.57) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL4058420 0.79 MAPT (0.60) MAPTCYP19A1MEN1KMT2ALMNA
SCHEMBL4043515 0.78 CYP19A1 (0.55) MAPTCYP19A1MEN1KMT2ALMNA

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