SCHEMBL8536873

SCHEMBL8536873

C=CCOc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.37
PPOX P50336 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PDE7A Q13946 3/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL8531340 0.87 TSHR (0.39) MAPTALDH1A1TSHRKMT2ACYP3A4
SCHEMBL5642200 0.83 ALDH1A1 (0.49) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL31503647 0.83 GAA (0.40) MAPTALDH1A1TSHRKMT2AGAA
SCHEMBL7138352 0.83 MAPT (0.40) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL5562501 0.81 MAPT (0.59) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL26930698 0.78 MAPT (0.61) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL9781225 0.78 NPC1 (0.50) TSHRGAAPPOXHTR2AHTR2C
SCHEMBL23914752 0.77 MAPT (0.44) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL23914959 0.77 MAPT (0.51) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL23913686 0.77 MAPT (0.43) MAPTALDH1A1TDP1TSHRLMNA

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-5786301-A HERBICIDES ZENECA LIMITED (GB) 1998-07-28 US disclosed