SCHEMBL3423902

SCHEMBL3423902

O=C(O)CCNN=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 7/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 3/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MMP14 P50281 1/20 0.52
HSP90AA1 P07900 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
GAA P10253 3/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 1/20 0.41
PLAU P00749 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
SCHEMBL3426161 0.85 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3427340 0.83 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3424244 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3425849 0.78 POLB (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28802712 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8958425 0.75 MGLL (0.50) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8958421 0.75 MGLL (0.50) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3425304 0.75 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6259751 0.73 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13337366 0.72 RAB9A (0.49) MAPTMEN1KMT2AALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed