SCHEMBL9545532

SCHEMBL9545532

CN(C)c1ccc(C2CC(=O)CC(c3ccc(N(C)C)cc3)C23c2cccnc2-c2ncccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
APP P05067 3/20 0.35
SNCA P37840 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
POLB P06746 1/20 0.32
AURKA O14965 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP11B2 P19099 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9198802 0.84 NFKB1 (0.45) MAPTALDH1A1GAANFKB1NFKB2
SCHEMBL9199038 0.82 NFKB1 (0.35) MAPTGAANFKB1NFKB2RELA
SCHEMBL9200820 0.77 CYP2A6 (0.40) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL9194471 0.74 GSK3B (0.47) MAPTALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL9195303 0.71 CYP2A6 (0.36) GAAKMT2AMEN1CYP1A2CYP2C19
SCHEMBL21048499 0.66 MAPT (0.42) MAPTAPPSNCAALDH1A1MAPK1
SCHEMBL9275393 0.65 PDK2 (0.33) ALDH1A1GAAKMT2ACYP11B2CYP1A2
SCHEMBL9198100 0.65 NFKB1 (0.46) MAPTALDH1A1GAANFKB1NFKB2
SCHEMBL9198107 0.65 NFKB1 (0.46) MAPTALDH1A1GAANFKB1NFKB2
SCHEMBL11235932 0.62 ALDH1A1 (0.38) MAPTAPPSNCAALDH1A1MAOA

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
WO-1993021185-A1 SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-28 WO disclosed