SCHEMBL6603601

SCHEMBL6603601

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
OPRK1 P41145 1/20 0.49
APEX1 P27695 1/20 0.48
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
NPBWR1 P48145 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6596709 0.83 ALDH1A1 (0.47) KMT2AOPRK1MEN1ALDH1A1HTT
SCHEMBL3763346 0.81 LMNA (0.58) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL6599742 0.81 ALDH1A1 (0.46) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL30894837 0.80 KMT2A (0.55) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL4658369 0.80 KMT2A (0.55) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL6605853 0.78 KMT2A (0.50) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL17478740 0.78 KMT2A (0.52) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL30894828 0.77 ALDH1A1 (0.53) KMT2AOPRK1APEX1MEN1ALDH1A1
SCHEMBL6204514 0.75 KDM4E (0.50) KMT2AOPRK1APEX1MEN1NPBWR1
SCHEMBL6534272 0.74 ELANE (0.64) KMT2AOPRK1MEN1ALDH1A1NPC1

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