SCHEMBL7017028

SCHEMBL7017028

[CH2]C(N)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
PABPC1 P11940 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7020671 0.83 SMN1; SMN2 (0.49) MEN1KMT2AMAPTGAALMNA
SCHEMBL30716729 0.80 ALDH1A1 (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL17198268 0.80 MEN1 (0.55) MEN1KMT2AMAPTGAALMNA
SCHEMBL3018141 0.80 ALDH1A1 (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL7016473 0.79 KMT2A (0.46) MEN1KMT2AMAPTGAALMNA
SCHEMBL31503950 0.78 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL1446574 0.78 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL20796131 0.77 MEN1 (0.74) MEN1KMT2AMAPTGAALMNA
SCHEMBL3933135 0.76 GAA (0.55) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL3117154 0.76 KMT2A (0.58) MEN1KMT2AMAPTGAALMNA

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 4 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
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed