SCHEMBL7022502

SCHEMBL7022502

O=[N+]([O-])c1ccc(NC[CH]c2ncc(-c3cnc[nH]3)c(-c3ccccc3Cl)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IDO1 P14902 1/20 0.34
CNR1 P21554 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL4970607 0.90 GSK3B (0.55) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7850973 0.86 GSK3B (0.40) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7852170 0.85 GSK3B (0.60) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7250090 0.84 GSK3B (0.60) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7853884 0.84 SMN1; SMN2 (0.35) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7022685 0.84 HTR7 (0.42) GSK3BSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL7855802 0.84 MAPT (0.41) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7852739 0.83 GSK3B (0.38) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL7022814 0.83 MAPT (0.39) MEN1KMT2AGSK3BSMN1; SMN2POLB
SCHEMBL5559057 0.76 GSK3B (0.62) MEN1KMT2AGSK3BSMN1; SMN2POLB

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