SCHEMBL667880

SCHEMBL667880

CN(C)c1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 10/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
HCAR3 P49019 1/20 0.36
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
MAPK1 P28482 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16504772 0.78 MAPT (0.36) MAPTALDH1A1KDM4EHCAR3SMN1; SMN2
SCHEMBL2193445 0.75 LMNA (0.33) ALDH1A1HTTTSHRTDP1LMNA
SCHEMBL455622 0.75 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL33832 0.72 TDP1 (0.46) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL7136437 0.72 TDP1 (0.46) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL6047841 0.72 MAPT (0.41) CA12CA1CA2CA4CA9
SCHEMBL58862 0.72 MEN1 (0.36) MAPTALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL2075135 0.71 MAPT (0.36) MAPTALDH1A1KDM4EHTTGAA
SCHEMBL1179579 0.71 PDE7A (0.35) MAPTALDH1A1TSHRTDP1LMNA
SCHEMBL3042315 0.71 GPR35 (0.42) ALDH1A1GAATSHRSMN1; SMN2TP53

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-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed