SCHEMBL29056922

SCHEMBL29056922

O=C(O)c1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.77
NPC1 O15118 9/20 0.75
RAB9A P51151 9/20 0.75
MEN1 O00255 8/20 0.75
KMT2A Q03164 8/20 0.75
POLB P06746 1/20 0.75
MAPT P10636 4/20 0.67
PKM P14618 4/20 0.67
HTT P42858 3/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
MLNR O43193 1/20 0.67
NR1I2 O75469 1/20 0.67
ABCB11 O95342 1/20 0.67
TP53 P04637 1/20 0.67
ADRB2 P07550 1/20 0.67
CHRM2 P08172 1/20 0.67
ADRB1 P08588 1/20 0.67

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
SCHEMBL30142722 0.88 STAT3 (0.75) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL11154311 0.88 STAT3 (0.79) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL30339269 0.88 STAT3 (0.67) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL27135745 0.88 STAT3 (0.67) STAT3NPC1RAB9AMEN1KMT2A
Tizoxanide SCHEMBL375440 0.87 STAT3 (1.00) STAT3NPC1RAB9AMEN1KMT2A
Tizoxanide SCHEMBL29367981 0.87 STAT3 (1.00) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL25063328 0.86 STAT3 (0.72) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL30142706 0.86 STAT3 (0.72) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL375809 0.86 STAT3 (0.72) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL375810 0.86 STAT3 (0.72) STAT3NPC1RAB9AMEN1KMT2A

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
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
EP-4157888-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS Cullgen (Shanghai), Inc. (CN) 2023-04-05 EP disclosed