SCHEMBL9056868

SCHEMBL9056868

CCCCCC(C(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KMT2A Q03164 3/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37

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
SCHEMBL1056790 0.87 L3MBTL1 (0.42) L3MBTL1KMT2AESR1GAAHPGD
SCHEMBL29674293 0.86 L3MBTL1 (0.57) L3MBTL1MAPTCRHBPCRHR2KMT2A
SCHEMBL16225603 0.80 TP53 (0.42) L3MBTL1KMT2ATP53ALDH1A1TDP1
SCHEMBL28953337 0.77 KMT2A (0.37) L3MBTL1MAPTKMT2AESR1GAA
SCHEMBL1056789 0.77 MGLL (0.54) KMT2AHPGDMEN1TP53
SCHEMBL1057425 0.77 SMN1; SMN2 (0.42) L3MBTL1KMT2AGAAMEN1TP53
SCHEMBL7598491 0.76 L3MBTL1 (0.60) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL7599204 0.76 L3MBTL1 (0.60) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL16225601 0.76 KMT2A (0.54) KMT2AHPGDMEN1TP53
SCHEMBL6868716 0.76 ALDH1A1 (0.43) L3MBTL1KMT2ATP53ALDH1A1TDP1

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-0599571-B1 Photoresist composition IBM (US) 1996-03-27 EP disclosed
EP-0599571-A2 Photoresist composition International Business Machines Corporation (US) 1994-06-01 EP disclosed