SCHEMBL20195642

SCHEMBL20195642

COc1cccc([N+](=O)[O-])c1COc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.41
TXNRD1 Q16881 1/20 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
SCHEMBL20195550 0.89 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL20195567 0.82 KMT2A (0.49) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL20195582 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18185050 0.79 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL22564431 0.78 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL18504143 0.78 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL20195565 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18185022 0.77 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL20195648 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KMT2ANPC1RAB9A
SCHEMBL8342103 0.76 KMT2A (0.54) ALDH1A1KMT2AMEN1NPC1RAB9A

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