SCHEMBL8216762

SCHEMBL8216762

Cc1cc(N(OCCO)OCCO)ccc1N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.43
MMP14 P50281 2/20 0.42
NPC1 O15118 4/20 0.38
MAPK1 P28482 4/20 0.38
RAB9A P51151 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 1/20 0.38
RECQL P46063 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38

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
SCHEMBL112230 0.83 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29358253 0.83 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL112231 0.83 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10067503 0.81 KMT2A (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9307057 0.80 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9307054 0.80 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL25419671 0.78 KMT2A (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9717137 0.78 TSHR (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8216589 0.77 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8216588 0.77 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB

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-0992832-A1 Optical element for use in eye-protecting devices INTERCAST EUROPE S.P.A. (IT) 2000-04-12 EP disclosed
US-5975695-A Optical element for use in eye-protecting devices INTERCAST EUROPE S.P.A. (IT) 1999-11-02 US disclosed