SCHEMBL17817837

SCHEMBL17817837

COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
CRHBP P24387 1/20 0.53
ATM Q13315 1/20 0.53
CRHR2 Q13324 1/20 0.53
TLR9 Q9NR96 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APP P05067 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL17817840 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL15746105 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL17817839 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL8020422 0.90 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1APPTDP1
SCHEMBL28048173 0.87 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL8908011 0.87 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL19190713 0.87 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL29702410 0.83 MAOA (0.53) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL17817841 0.83 TDP1 (0.73) ALDH1A1L3MBTL1APPTDP1MAPK1
SCHEMBL6538839 0.83 TDP1 (0.73) ALDH1A1L3MBTL1APPTDP1MAPK1

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
EP-3032621-A1 Electrode for an electrochemical element with an organic electrolyte, electrochemical elements comprising the electrode and polymeric material and its use as electrode active material or as electrode binder VARTA Micro Innovation GmbH (AT) 2016-06-15 EP disclosed