SCHEMBL21032933

SCHEMBL21032933

Cc1ccc(S(=O)(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.67
LMNA P02545 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
CA12 O43570 3/20 0.67
CA9 Q16790 3/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
RXFP1 Q9HBX9 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 2/20 0.63
POLB P06746 3/20 0.60
THRB P10828 2/20 0.60
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 2/20 0.50

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
SCHEMBL20435637 0.89 CA12 (0.68) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL831487 0.88 CA12 (0.79) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL20435617 0.88 LMNA (0.67) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL20435643 0.81 PKM (1.00) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL20435631 0.81 PKM (0.72) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL8809101 0.80 CA12 (0.75) PKMLMNAMEN1KMT2ACA12
SCHEMBL8810276 0.80 CA12 (1.00) LMNAMEN1KMT2ACA12CA9
SCHEMBL21032905 0.79 ALDH1A1 (1.00) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL20435593 0.78 NPSR1 (0.72) PKMLMNAMEN1KMT2ANPSR1
SCHEMBL31415605 0.77 CA12 (0.65) PKMLMNAMEN1KMT2ACA12

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
WO-2019104201-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS Zander Therapeutics, Inc. (US) 2019-05-31 WO disclosed
WO-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 WO disclosed