SCHEMBL7016469

SCHEMBL7016469

CN(C)CC[C](N)CNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
DPP4 P27487 2/20 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
SCHEMBL30648848 0.80 SMN1; SMN2 (0.56) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL2681134 0.80 SMN1; SMN2 (0.56) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL9794274 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBGAACYP1A2KMT2A
Hydrochloric Acid SCHEMBL6085776 0.78 POLB (0.43) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL5094621 0.77 DPP4 (0.54) SMN1; SMN2POLBGAACYP1A2KMT2A
Oxalic Acid SCHEMBL7421984 0.76 SMN1; SMN2 (0.57) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL7023016 0.75 SMN1; SMN2 (0.50) SMN1; SMN2POLBGAACYP1A2KMT2A
Hydrochloric Acid SCHEMBL5089373 0.74 POLB (0.42) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL5091651 0.73 SMN1; SMN2 (0.53) SMN1; SMN2POLBGAACYP1A2KMT2A
SCHEMBL9143702 0.72 SMN1; SMN2 (0.63) SMN1; SMN2POLBGAACYP1A2KMT2A

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