SCHEMBL4764153

SCHEMBL4764153

O=C=NC(I)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
ACP3 P15309 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL12371183 0.81 TSHR (0.48) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL28856440 0.75 TSHR (0.57) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL4093002 0.74 TSHR (0.67) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL8002226 0.72 TSHR (0.53) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL27326877 0.72 TSHR (0.53) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL11707796 0.71 TSHR (0.57) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL11332099 0.71 ACP3 (0.55) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL11432821 0.71 TSHR (0.61) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL384083 0.71 TSHR (0.61) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL254876 0.71 TSHR (0.61) TSHRLMNAALDH1A1ALOX15ACP3

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
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed