Aziridine

Aziridine

SCHEMBL29221600

C1CN1.NC(=S)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PSMD14 O00487 1/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 1/20 0.34
RAD52 P43351 1/20 0.34
CASP6 P55212 1/20 0.34
UBE2N P61088 1/20 0.34
MGLL Q99685 1/20 0.33
ABCC1 P33527 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4210973 0.92 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AATML3MBTL1
Hydrochloric Acid SCHEMBL8764185 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL4373512 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL4384248 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL9034396 0.73 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATML3MBTL1
Hydrochloric Acid SCHEMBL15527206 0.73 KMT2A (0.39) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL175271 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL28950933 0.71 NPSR1 (0.48) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL11880568 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL11807607 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2AATML3MBTL1

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-115894909-B Polyethylenimine nitrophenyl thiourea probe, preparation method and application thereof in recognition of anions 新疆大学 2024-06-04 CN claimed
CN-115894909-B Polyethylenimine nitrophenyl thiourea probe, preparation method and application thereof in recognition of anions 新疆大学 2024-06-04 CN disclosed