SCHEMBL6594656

SCHEMBL6594656

CN(C)c1nccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39
CDC7 O00311 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL10967877 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL28171570 0.80 MEN1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6594378 0.79 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28284190 0.76 MEN1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL5990018 0.76 CDC7 (0.47) ALDH1A1MEN1KMT2APARP1CYP3A4
SCHEMBL30573352 0.76 PARG (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6196774 0.76 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5988485 0.76 PARG (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL5989853 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL16455342 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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