SCHEMBL6596709

SCHEMBL6596709

CC(C)c1cc(O)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ELANE P08246 1/20 0.45
KMT2A Q03164 4/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ERN1 O75460 1/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6603601 0.83 KMT2A (0.49) ALDH1A1KMT2AOPRK1HTTMEN1
SCHEMBL6846654 0.81 KMT2A (0.51) ALDH1A1ELANEKMT2ATXNRD1TXNRD3
SCHEMBL6599742 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AOPRK1HTTABCG2
SCHEMBL4659474 0.80 ELANE (0.50) ALDH1A1ELANEKMT2ATXNRD1TXNRD3
SCHEMBL2910393 0.77 ALDH1A1 (0.67) ALDH1A1ELANEKMT2ATXNRD1TXNRD3
SCHEMBL6201684 0.75 KDM4E (0.50) ALDH1A1ELANEKMT2AMEN1
SCHEMBL1257817 0.74 ELANE (0.72) ALDH1A1ELANEKMT2AOPRK1ABCG2
SCHEMBL2906892 0.74 ALDH1A1 (0.60) ALDH1A1ELANEKMT2AABCG2MEN1
SCHEMBL5909911 0.72 MEN1 (0.56) ALDH1A1ELANEKMT2ATXNRD1TXNRD3
SCHEMBL23877259 0.72 MYC (0.44) ALDH1A1KMT2AMEN1CYP1A2POLB

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