SCHEMBL7023019

SCHEMBL7023019

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MEN1 O00255 6/20 0.48
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 1/20 0.42
PABPC1 P11940 1/20 0.41

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
SCHEMBL7016473 0.80 KMT2A (0.46) KMT2ARAB9ANPC1MEN1GAA
Hydrochloric Acid SCHEMBL6085781 0.77 GAA (0.43) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL2681134 0.77 SMN1; SMN2 (0.56) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL30648848 0.77 SMN1; SMN2 (0.56) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL10707768 0.75 ALDH1A1 (0.55) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL7017028 0.75 MEN1 (0.53) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL9794274 0.75 SMN1; SMN2 (0.53) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL17198268 0.74 MEN1 (0.55) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL30716729 0.74 ALDH1A1 (0.60) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL3018141 0.74 ALDH1A1 (0.60) KMT2ARAB9ANPC1MEN1GAA

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