SCHEMBL7146519

SCHEMBL7146519

CC(C)(C)c1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
GSK3B P49841 1/20 0.44
DPP4 P27487 2/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
POLB P06746 3/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK8 P45983 1/20 0.38
KDM6B O15054 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
SCHEMBL7026762 1.00 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5089316 0.91 GSK3B (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7026103 0.90 GSK3B (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5089343 0.89 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27559770 0.88 GSK3B (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6639575 0.87 GSK3B (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27541731 0.87 KMT2A (0.48) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL27559775 0.87 GSK3B (0.48) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7152632 0.85 GSK3B (0.46) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5092032 0.85 GSK3B (0.44) MAPTSMN1; SMN2MEN1KMT2ARAB9A

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed