SCHEMBL6206355

SCHEMBL6206355

Nc1c(C(=O)c2ccccc2C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KDM4E B2RXH2 4/20 0.50
CDC25B P30305 2/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.49
HPSE Q9Y251 1/20 0.48
CTSD P07339 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 3/20 0.46
DNA2 P51530 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
AKR1C3 P42330 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL8411975 0.90 TSHR (0.51) TSHRKDM4ELMNAGLACTSD
SCHEMBL162559 0.89 TSHR (0.64) TSHRKDM4ELMNACTSDTDP1
SCHEMBL28935981 0.87 TSHR (0.62) TSHRKDM4ELMNACTSDTDP1
SCHEMBL1509450 0.87 TSHR (0.62) TSHRKDM4ELMNACTSDTDP1
SCHEMBL1509448 0.87 TSHR (0.62) TSHRKDM4ELMNACTSDTDP1
Hydrochloric Acid SCHEMBL27908306 0.87 TSHR (0.62) TSHRKDM4ELMNACTSDTDP1
SCHEMBL11846932 0.86 MAPK1 (0.55) TSHRKDM4ECDC25BLMNACTSD
SCHEMBL5705801 0.85 TSHR (0.59) TSHRKDM4ECDC25BLMNAGLA
SCHEMBL631453 0.78 ALDH1A1 (0.57) TSHRLMNACTSDTDP1L3MBTL1
SCHEMBL4245567 0.78 TSHR (0.55) TSHRKDM4ELMNACTSDTDP1

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
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed