SCHEMBL9099682

SCHEMBL9099682

Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1S(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.64
MEN1 O00255 12/20 0.60
KMT2A Q03164 12/20 0.60
MAPT P10636 3/20 0.60
PSMD14 O00487 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
OPRK1 P41145 1/20 0.60
MYC P01106 8/20 0.57
MAX P61244 4/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL14933669 0.82 IDO1 (0.70) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL300424 0.79 IDO1 (1.00) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL17927389 0.78 IDO1 (0.67) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL300460 0.77 KMT2A (0.73) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL6834736 0.76 IDO1 (0.76) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL6834810 0.75 IDO1 (0.78) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL6831350 0.75 MEN1 (0.73) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL6833753 0.74 IDO1 (0.76) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL3702011 0.74 IDO1 (0.76) IDO1MEN1KMT2AMAPTPSMD14
SCHEMBL3705483 0.74 MEN1 (0.74) IDO1MEN1KMT2AMAPTPSMD14

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-1993003382-A2 CHARACTERIZATION OF SPECIFIC DRUG RECEPTORS WITH FLUORESCENT LIGANDS PHARMACEUTICAL DISCOVERY CORPORATION (US) 1993-02-18 WO claimed
US-5576436-A FLUORESCENT LABELED LIGANDS FOR MEASUREMENT OF RECEPTORS PHARMACEUTICAL DISCOVERY CORPORATION (US) 1996-11-19 US disclosed