SCHEMBL30780918

SCHEMBL30780918

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 7/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59
ACHE P22303 1/20 0.57
BAZ1A Q9NRL2 1/20 0.55
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1413129 1.00 TSHR (0.61) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL14397069 0.85 TSHR (0.57) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL11819373 0.85 TSHR (0.57) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL12048735 0.83 ABCG2 (0.59) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL12550512 0.82 ALDH1A1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL2035403 0.82 ALDH1A1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL10651901 0.82 ALDH1A1 (0.57) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL13716196 0.82 ALDH1A1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL4959484 0.80 ATM (0.55) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL3412211 0.80 ALDH1A1 (0.52) TSHRLMNAALDH1A1MAPTMEN1

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
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed