SCHEMBL23399796

SCHEMBL23399796

Cc1ccc(-c2cc(=O)n(-c3ccccc3C)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
KDM4E B2RXH2 8/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
LMNA P02545 5/20 0.42
GAA P10253 4/20 0.42
HTT P42858 4/20 0.42
RAB9A P51151 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
TP53 P04637 4/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL23400261 0.91 NOX4 (0.54) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL23399227 0.85 MEN1 (0.48) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL23402031 0.81 MAPT (0.46) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL23400761 0.81 MAPT (0.57) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL23398682 0.79 MAPT (0.55) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL11755279 0.78 MAPT (0.65) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL5527948 0.77 MAPT (0.70) NOX4KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL23400828 0.76 ALKBH5 (0.57) NOX4NOX1KDM4EMAPTSMN1; SMN2
SCHEMBL23402279 0.75 MAPT (0.46) NOX4KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL23402976 0.73 ALKBH3 (0.47) NOX4KDM4EMAPTSMN1; SMN2ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed