SCHEMBL15799247

SCHEMBL15799247

CC(COC=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ACP3 P15309 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 3/20 0.41
GAA P10253 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
SCHEMBL1966503 0.82 KCNJ1 (0.44) KMT2AL3MBTL1MEN1TSHRLMNA
SCHEMBL21200200 0.81 KMT2A (0.55) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL21200199 0.81 KMT2A (0.55) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL9864581 0.80 KMT2A (0.41) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL21201068 0.80 KMT2A (0.51) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL18896279 0.79 KMT2A (0.58) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL21200551 0.77 L3MBTL1 (0.61) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL2878386 0.77 L3MBTL1 (0.61) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL11810361 0.77 KMT2A (0.57) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL3069746 0.77 KMT2A (0.57) KMT2AL3MBTL1MEN1HPGDTSHR

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-2014093196-A1 SOLID PHASE SCAFFOLD BASED LIBRARIES NORTH CAROLINA STATE UNIVERSITY (US) 2014-06-19 WO disclosed