SCHEMBL3148713

SCHEMBL3148713

O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1.[PbH2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 3/20 0.55
HIF1A Q16665 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
GPR35 Q9HC97 3/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
NT5E P21589 2/20 0.50
GUSB P08236 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49

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
SCHEMBL63183 0.98 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL1363964 0.98 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL11572072 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL3660349 0.96 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1HIF1A
Hydrochloric Acid SCHEMBL4449301 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
Water SCHEMBL29684003 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
Water SCHEMBL7210787 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL11572065 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
Water SCHEMBL20573516 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
Bromide SCHEMBL27497723 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159377-B Near infrared emission and simultaneous identification H 2 S、HSO 3- Fluorescent probe of (2) and use thereof 渤海大学 2023-07-11 CN disclosed
US-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 WO disclosed