SCHEMBL15329652

SCHEMBL15329652

CCc1nn(-c2ccccc2[N+](=O)[O-])c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
VCAM1 P19320 1/20 0.34

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
SCHEMBL2558945 0.84 PKM (0.41) ALDH1A1PKMNPSR1KMT2AHTT
SCHEMBL2562753 0.83 PKM (0.40) ALDH1A1PKMNPSR1KMT2AHTT
SCHEMBL15330760 0.82 SMN1; SMN2 (0.46) ALDH1A1PKMNPSR1KMT2ASMN1; SMN2
SCHEMBL15330129 0.81 NPSR1 (0.38) ALDH1A1NPSR1KMT2AHTTSMN1; SMN2
SCHEMBL15330838 0.80 NPSR1 (0.35) ALDH1A1NPSR1SLC5A1SLC5A2SMN1; SMN2
SCHEMBL15330768 0.80 KCNN4 (0.39) NPSR1KMT2ASMN1; SMN2
SCHEMBL15329570 0.79 MAPT (0.48) ALDH1A1PKMNPSR1KMT2AHTT
SCHEMBL15333149 0.78 MAPT (0.44) ALDH1A1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL15330493 0.78 PDE4A (0.41) ALDH1A1NPSR1HTTSMN1; SMN2LMNA
SCHEMBL15330219 0.76 PDE4B (0.45) ALDH1A1KMT2ASMN1; SMN2MAPT

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
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