SCHEMBL8342103

SCHEMBL8342103

O=[N+]([O-])c1ccccc1COc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAOB P27338 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
PIN1 Q13526 1/20 0.47
HPGD P15428 1/20 0.45
MET P08581 1/20 0.45
RECQL P46063 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL1460167 0.79 KMT2A (0.49) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL20195582 0.79 ALDH1A1 (0.44) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL28231157 0.78 PIN1 (0.60) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL7897679 0.78 MAOB (0.62) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL3125878 0.77 MAOB (0.68) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL10789091 0.77 NPC1 (0.68) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL10679738 0.77 NPC1 (0.59) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL8346092 0.77 HTT (0.49) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL20195642 0.76 ALDH1A1 (0.51) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL77922 0.76 ALDH1A1 (0.62) KMT2ANPC1RAB9AMAOBALDH1A1

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
US-6001517-A A THERMOSETTING POLYMER WHICH CAN BE CURED THROUGH CYCLODEHYDRATION UPON HEATING AND A CURE ACCELERATOR WHICH CAN BE DEACTIVATED OF ITS CURE ACCELERATION PROPERTY BY IRRIDIATION OF LIGHT KABUSHIKI KAISHA TOSHIBA (JP) 1999-12-14 US disclosed