SCHEMBL9034396

SCHEMBL9034396

NOC(=S)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 3/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
TLR9 Q9NR96 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MGLL Q99685 2/20 0.34
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.33
RAD52 P43351 1/20 0.33
CASP6 P55212 1/20 0.33
UBE2N P61088 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32

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 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL8764185 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL4373512 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL175271 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL28950933 0.74 NPSR1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AATM
Aziridine SCHEMBL29221600 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL4384248 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL16236160 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL15527206 0.71 KMT2A (0.39) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL27798628 0.71 ATM (0.38) ALDH1A1L3MBTL1MEN1KMT2AATM

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
EP-0549943-B1 Benzimidazole sulfonic acid derivatives as microbicides CIBA GEIGY AG (CH) 1996-05-22 EP disclosed
EP-0549943-A1 Benzimidazole sulfonic acid derivatives as microbicides CIBA-GEIGY AG (CH) 1993-07-07 EP disclosed