SCHEMBL3837463

SCHEMBL3837463

CCN(CC)c1ccc([N+](=O)[O-])c(C=CN(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
ALDH1A1 P00352 10/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
THRB P10828 3/20 0.51
PTBP1 P26599 1/20 0.51
ALDH3A1 P30838 1/20 0.45
HCAR3 P49019 1/20 0.41
PTGS2 P35354 1/20 0.40
BACE1 P56817 3/20 0.40
MAPK1 P28482 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL3837461 1.00 MAPT (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9694281 0.82 ALDH3A1 (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11837114 0.80 ATM (0.50) MAPTALDH1A1LMNAPTGS2BACE1
SCHEMBL11837128 0.80 ATM (0.50) MAPTALDH1A1LMNAPTGS2BACE1
SCHEMBL12367389 0.78 TSHR (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3933622 0.77 BACE1 (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3933619 0.77 BACE1 (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11834613 0.77 BACE1 (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11834600 0.77 BACE1 (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17968829 0.76 MAPT (0.44) MAPTALDH1A1KMT2ALMNAKDM4E

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed