SCHEMBL7688672

SCHEMBL7688672

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ACP3 P15309 1/20 0.42
POLB P06746 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
SCHEMBL6903550 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL6905899 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL7680353 0.86 F2 (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7688540 0.85 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1
SCHEMBL7682611 0.85 F2 (0.41) ALDH1A1HTTMAPTCYP2C19KDM4E
SCHEMBL30947796 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6478745 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6478160 0.85 KCNA5 (0.44) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL698333 0.84 ALDH1A1 (0.51) KMT2AALDH1A1MAPTHPGDCYP3A4
SCHEMBL29921355 0.84 ALDH1A1 (0.51) KMT2AALDH1A1MAPTHPGDCYP3A4

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
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 WO disclosed