SCHEMBL3826052

SCHEMBL3826052

Nc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.33
QTRT1 Q9BXR0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MASP2 O00187 1/20 0.31
MEN1 O00255 1/20 0.31
NUDT1 P36639 1/20 0.31
KMT2A Q03164 1/20 0.31
AOC3 Q16853 1/20 0.31
LTB4R Q15722 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4743087 0.77 KCNN4 (0.31) KCNN4
SCHEMBL4379263 0.77 KDM4E (0.32) KCNN4ALDH1A1KDM4E
SCHEMBL11159377 0.77 ALDH1A1 (0.33) KCNN4ALDH1A1
SCHEMBL8172215 0.73 KIF11 (0.31)
SCHEMBL17242715 0.73 METAP2 (0.38) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL1528178 0.70 TDP1 (0.34)
SCHEMBL9670458 0.69 MEN1 (0.35) MEN1KMT2A
SCHEMBL3827052 0.69 KCNN4 (0.33) KCNN4ALDH1A1KMT2AGAAKDM4E
SCHEMBL8871231 0.67 POLB (0.32)
Hydrochloric Acid SCHEMBL31417166 0.67 HSP90AA1 (0.36) ALDH1A1MEN1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094311-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2009-09-02 EP disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008070291-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2008-06-12 WO disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP disclosed
EP-0939757-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Dupont Pharmaceuticals Company (US) 1999-09-08 EP disclosed
EP-0888344-A1 SPIROCYCLE INTEGRIN INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-07 EP disclosed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO disclosed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO disclosed
WO-1997033887-A1 SPIROCYCLE INTEGRIN INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-09-18 WO disclosed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO disclosed