SCHEMBL20125060

SCHEMBL20125060

Cc1cc2c([N+](=O)[O-])cccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
GAA P10253 1/20 0.66
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 3/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL8039855 0.79 MEN1 (1.00) MAPTMEN1KMT2AGAATDP1
SCHEMBL15828669 0.79 MEN1 (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL3085553 0.77 MAPT (0.62) MAPTMEN1KMT2AGAATDP1
SCHEMBL6595610 0.77 TSHR (0.41) MAPTMEN1KMT2AGAATDP1
SCHEMBL6176327 0.76 MAPT (0.65) MAPTMEN1KMT2AGAATDP1
SCHEMBL3072829 0.76 MAPT (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL9149685 0.74 MAPT (0.58) MAPTMEN1KMT2AGAATDP1
SCHEMBL7828455 0.72 MAOA (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL4778868 0.72 GPR35 (0.63) MAPTMEN1KMT2AGAATDP1
SCHEMBL5311674 0.72 GABRP (0.56) MAPTMEN1KMT2AGAATDP1

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed