SCHEMBL6505699

SCHEMBL6505699

Cc1nc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
OPRK1 P41145 1/20 0.63
MEN1 O00255 3/20 0.50
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
APEX1 P27695 1/20 0.45

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
SCHEMBL2263219 0.84 KMT2A (0.67) KMT2AOPRK1MEN1HPGDHTT
SCHEMBL29532414 0.84 KMT2A (0.67) KMT2AOPRK1MEN1HPGDHTT
SCHEMBL11154554 0.81 KMT2A (0.63) KMT2AOPRK1MEN1HTTSMN1; SMN2
SCHEMBL27961421 0.81 KMT2A (0.63) KMT2AOPRK1MEN1L3MBTL1SMN1; SMN2
SCHEMBL7685903 0.81 KMT2A (0.63) KMT2AOPRK1MEN1HTTALDH1A1
SCHEMBL7686142 0.81 KMT2A (0.59) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL28133331 0.79 KMT2A (0.60) KMT2AOPRK1MEN1L3MBTL1SMN1; SMN2
SCHEMBL5873486 0.78 KDM4E (0.54) KMT2AOPRK1MEN1HTTSMN1; SMN2
SCHEMBL3763346 0.78 LMNA (0.58) KMT2AOPRK1MEN1HTTSMN1; SMN2
SCHEMBL2256399 0.78 KMT2A (0.56) KMT2AOPRK1MEN1HTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005035526-A1 BICYCLIC COMPOUNDS AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LTD. (GB) 2005-04-21 WO disclosed