SCHEMBL9737181

SCHEMBL9737181

CC(=O)Nc1ccc2nc3c(c(N)c2c1)OCCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
BCHE P06276 3/20 0.51
APP P05067 1/20 0.51
ELANE P08246 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PABPC1 P11940 1/20 0.41
GLA P06280 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40

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
SCHEMBL9874880 0.78 KDM4E (0.55) ACHEBCHEAPPELANEMEN1
SCHEMBL13697268 0.77 KMT2A (0.61) ACHEBCHEAPPELANEMEN1
SCHEMBL13696892 0.72 KMT2A (0.55) ACHEBCHEAPPELANEMEN1
SCHEMBL9169032 0.72 ACHE (0.60) ACHEBCHEAPPRAB9AKDM4E
SCHEMBL9173536 0.72 ACHE (0.47) ACHEBCHEAPPELANEMEN1
SCHEMBL9173459 0.72 ACHE (0.53) ACHEBCHEAPPMEN1KMT2A
SCHEMBL4163110 0.71 KMT2A (0.66) ACHEMEN1KMT2AMAPTNPC1
SCHEMBL13697360 0.69 ABCG2 (0.55) ACHEMEN1KMT2AMAPTNPC1
SCHEMBL7763069 0.67 GNG2 (0.81) MEN1KMT2AMAPTNPSR1MMP1
SCHEMBL4163695 0.66 KDM4E (0.65) ELANEMEN1KMT2AMAPTNPC1

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
US-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 US claimed