SCHEMBL6598531

SCHEMBL6598531

O=[N+]([O-])c1ccc2nc(Cl)c3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
OPRK1 P41145 1/20 0.59
MEN1 O00255 3/20 0.52
ELANE P08246 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
S100A4 P26447 1/20 0.48
ACHE P22303 1/20 0.47
EGFR P00533 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPBWR1 P48145 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4163828 0.81 KMT2A (0.59) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL2256399 0.81 KMT2A (0.56) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL29532414 0.81 KMT2A (0.67) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL10815968 0.81 ACHE (0.49) KMT2AOPRK1S100A4ACHESMN1; SMN2
SCHEMBL2263219 0.81 KMT2A (0.67) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL31399874 0.78 EIF4A1 (0.51) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL4966085 0.78 KMT2A (0.52) KMT2AOPRK1MEN1ABCG2ACHE
SCHEMBL6593674 0.78 KMT2A (0.52) KMT2AOPRK1MEN1ELANEABCG2
SCHEMBL16415885 0.78 KMT2A (0.49) KMT2AOPRK1MEN1ELANEACHE
SCHEMBL7821797 0.76 KMT2A (0.51) KMT2AOPRK1MEN1ELANEABCG2

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