SCHEMBL7565478

SCHEMBL7565478

O=Nc1ccc(N(N=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
ALOX15 P16050 1/20 0.74
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.38
EIF4H Q15056 1/20 0.38
KMT2A Q03164 4/20 0.36
PKM P14618 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL9292268 0.89 ALDH1A1 (0.94) ALDH1A1ALOX15HSD17B10TSHRMAPK1
SCHEMBL80329 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1TDP1CYP3A4
SCHEMBL3916108 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1TDP1CYP3A4
Hydrochloric Acid SCHEMBL10866136 0.84 ALDH1A1 (0.94) ALDH1A1ALOX15MAPK1TDP1CYP3A4
SCHEMBL11271014 0.84 ALDH1A1 (0.94) ALDH1A1ALOX15MAPK1TDP1CYP3A4
Ammonia Solution, Strong SCHEMBL30606651 0.84 ALDH1A1 (0.94) ALDH1A1ALOX15MAPK1TDP1CYP3A4
SCHEMBL1031712 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15HSD17B10TSHRMAPK1
Biphenyl SCHEMBL28348300 0.79 ALDH1A1 (0.85) ALDH1A1ALOX15HSD17B10MAPK1TDP1
SCHEMBL5672791 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10TSHRMAPK1
SCHEMBL12060779 0.78 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2145874-A None JP disclosed
WO-2002074123-A1 WATCH STRAP DESCO VON SCHULTHESS AG (CH) 2002-09-26 WO disclosed
EP-1243193-A1 Wrist-watch strap Desco von Schulthess AG (CH) 2002-09-25 EP disclosed
JP-H02145874-A METHOD FOR TREATING AROMATIC POLYAMIDE FIBER FOR REINFORCING RUBBER SUMITOMO CHEM CO LTD 1990-06-05 JP disclosed
US-4011899-A Steel member for reinforcing rubber compositions and method of making same MONSANTO COMPANY (US) 1977-03-15 US disclosed