SCHEMBL6602932

SCHEMBL6602932

CNc1cc(N(C)C)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
BRAF P15056 1/20 0.45
TNNI3K Q59H18 1/20 0.45
MAPT P10636 3/20 0.42
OPRK1 P41145 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL6605853 0.80 KMT2A (0.50) ALDH1A1KMT2AMEN1MAPTOPRK1
SCHEMBL6599742 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1BRAFTNNI3K
SCHEMBL6605394 0.75 NUDT1 (0.44) ALDH1A1BRAFTNNI3KMAPTACHE
SCHEMBL4820926 0.73 ABCG2 (0.51) ALDH1A1KMT2AMEN1MAPTOPRK1
SCHEMBL4821056 0.73 NPBWR1 (0.51) ALDH1A1KMT2AMEN1MAPTOPRK1
SCHEMBL5873652 0.71 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTOPRK1
SCHEMBL9587522 0.70 ABCG2 (0.48) ALDH1A1KMT2AOPRK1ABCG2ACHE
SCHEMBL8471116 0.70 ACHE (0.47) ALDH1A1KMT2AMEN1OPRK1L3MBTL1
SCHEMBL6593674 0.70 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTOPRK1
SCHEMBL2986361 0.70 ACHE (0.47) ALDH1A1KMT2AMEN1OPRK1ABCG2

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
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed