SCHEMBL6600636

SCHEMBL6600636

CCN(CC)c1cc(C)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 2/20 0.47
JAK2 O60674 1/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.47
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL8368774 0.81 KMT2A (0.50) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL6848360 0.79 KMT2A (0.55) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL6846654 0.77 KMT2A (0.51) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL3763346 0.77 LMNA (0.58) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL5988773 0.77 ALDH1A1 (0.53) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL6607044 0.76 NQO2 (0.52) POLBL3MBTL1LMNAALDH1A1
SCHEMBL6618425 0.75 TERT (0.39) SMN1; SMN2LMNAALDH1A1
SCHEMBL6846717 0.74 KMT2A (0.52) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL7761439 0.74 KMT2A (0.52) HTTKMT2ASMN1; SMN2MITFJAK2
SCHEMBL3895339 0.74 HTT (0.63) HTTTP53KMT2AMAPTMEN1

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