SCHEMBL5807231

SCHEMBL5807231

Nc1nc(N(C2CCCCC2)N2CCOCC2)ncc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CTSL P07711 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2697697 0.69 HTT (0.48) LMNAHTTNPC1RAB9AMAPT
SCHEMBL4445956 0.68 JAK3 (0.39) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL27947892 0.65 CDK2 (0.44) CDK2HTTNPC1RAB9AMAPT
SCHEMBL16740681 0.65 CDK2 (0.41) CDK2MAPTMEN1KMT2ACYP3A4
SCHEMBL20089106 0.64 ALDH1A1 (0.48) LMNAHTTMAPTALDH1A1CYP1A2
SCHEMBL4343312 0.64 JAK3 (0.37) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31570637 0.61 MAPT (0.40) RAB9AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL15147678 0.61 KDR (0.35) CDK2LMNANPC1RAB9AMAPT
SCHEMBL939117 0.61 ALDH1A1 (0.54) HTTMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL30574858 0.61 ALDH1A1 (0.54) HTTMAPTALDH1A1CYP1A2CYP2C9

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
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed