SCHEMBL29908288

SCHEMBL29908288

O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 1.00
MEN1 O00255 9/20 0.76
RAB9A P51151 9/20 0.76
KMT2A Q03164 9/20 0.76
NPC1 O15118 8/20 0.76
MAPT P10636 4/20 0.76
THRB P10828 1/20 0.76
MAPK9 P45984 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
ATG4B Q9Y4P1 1/20 0.64
PKM P14618 4/20 0.62
POLB P06746 2/20 0.60
NSUN3 Q9H649 1/20 0.59
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56

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
SCHEMBL28573489 1.00 STAT3 (1.00) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL11149506 0.86 KMT2A (1.00) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL12974212 0.86 NPC1 (0.78) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL29908278 0.86 NPC1 (0.78) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL10253103 0.85 NPC1 (0.76) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL2681128 0.85 STAT3 (1.00) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL1804666 0.84 NPC1 (0.76) STAT3MEN1RAB9AKMT2ANPC1
Hydrochloric Acid SCHEMBL28423065 0.84 NPC1 (0.74) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL28478834 0.84 STAT3 (1.00) STAT3MEN1RAB9AKMT2ANPC1
SCHEMBL29908282 0.84 STAT3 (1.00) STAT3MEN1RAB9AKMT2ANPC1

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-116456980-A Application of thiazole compounds in preparation of medicines for treating and preventing cancers 北京大学 2023-07-18 CN disclosed
WO-2022206084-A1 USE OF THIAZOLE COMPOUND IN PREPARATION OF DRUG FOR TREATING AND PREVENTING CANCER 北京大学 2022-10-06 WO disclosed