SCHEMBL30780978

SCHEMBL30780978

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.51
ACHE P22303 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACP3 P15309 1/20 0.49
HSP90AA1 P07900 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL11208136 1.00 TSHR (0.53) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL7700608 0.84 TSHR (0.55) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL27809344 0.82 TSHR (0.48) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL1934510 0.82 L3MBTL1 (0.51) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL254876 0.82 TSHR (0.61) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL10415892 0.81 TSHR (0.52) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL20681151 0.81 TSHR (0.52) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL5243706 0.81 TSHR (0.52) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL4093002 0.81 TSHR (0.67) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL1027223 0.81 KMT2A (0.50) TSHRLMNAMEN1HPGDKMT2A

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