SCHEMBL20195654

SCHEMBL20195654

Cc1cccc(OCc2c(C(F)F)cccc2[N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
GABRA5 P31644 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL20195435 0.82 ALDH1A1 (0.45) GABRA5ALDH1A1KMT2ALMNAMAPT
SCHEMBL20195519 0.81 LMNA (0.46) GABRA5ALDH1A1KMT2ALMNAMAPT
SCHEMBL20195559 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL18504900 0.77 KMT2A (0.33) ALDH1A1KMT2AMAPTNR1H4SMN1; SMN2
SCHEMBL22563924 0.77 NR1H4 (0.33) ALDH1A1KMT2ANR1H4
SCHEMBL17191142 0.72 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL19229479 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL17146181 0.69 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL17191144 0.69 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL15352610 0.68 TDP1 (0.64) ALDH1A1KMT2ALMNAMAPTMEN1

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed