SCHEMBL2558968

SCHEMBL2558968

O=C(O)C1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 1/20 0.50
MAPT P10636 6/20 0.47
NOTUM Q6P988 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
S100A4 P26447 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2558464 0.93 NOTUM (0.56) SERPINE1ALDH1A1MAPTNOTUMTDP1
SCHEMBL2559246 0.85 TDP1 (0.63) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL2556830 0.83 ALDH1A1 (0.50) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL29957133 0.83 ALDH1A1 (0.50) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL29954407 0.83 ALDH1A1 (0.50) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL2559422 0.83 ALDH1A1 (0.69) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL29954516 0.83 ALDH1A1 (0.69) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL29956907 0.83 ALDH1A1 (0.69) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL5442497 0.80 POLB (0.55) SERPINE1ALDH1A1LMNAGAAMAPT
SCHEMBL27293811 0.80 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed