SCHEMBL7016820

SCHEMBL7016820

NC(=O)C(CCNc1ccccn1)(c1ncc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MITF O75030 1/20 0.34
CGAS Q8N884 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NTRK1 P04629 2/20 0.32
NTRK3 Q16288 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ITGB1 P05556 1/20 0.31

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
SCHEMBL5089504 0.74 PRKCQ (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6644446 0.69 CYP2D6 (0.38) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL7855383 0.65 KDM4E (0.38) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL27560053 0.63 PKM (0.52) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL5089224 0.63 SMN1; SMN2 (0.53) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL11903190 0.61 KMT2A (0.48) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL27538176 0.61 ADORA1 (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17110470 0.61 PIN1 (0.47) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL11020292 0.59 ALDH1A1 (0.56) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6804094 0.59 MAPT (0.60) NPC1RAB9AMAPTLMNAALDH1A1

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