SCHEMBL4781744

SCHEMBL4781744

Cc1ncc([N+](=O)[O-])cc1-n1cc(C(O)CC(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 5/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
SLC5A1 P13866 2/20 0.30
SLC5A2 P31639 2/20 0.30
HPGD P15428 1/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL14293533 0.78 KMT2A (0.34) MAPTPOLBKMT2AALDH1A1HTT
SCHEMBL4782153 0.75 NOTUM (0.37) MAPTPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4782157 0.75 NOTUM (0.37) MAPTPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4780603 0.69 DRD2 (0.38) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL13436194 0.68 CHEK1 (0.40)
SCHEMBL14293528 0.66 PKM (0.37) MAPTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL10076874 0.65 ALDH1A1 (0.56) MAPTMAPK1KMT2AALDH1A1HTT
SCHEMBL4781747 0.65 NPC1 (0.37) MAPTATMKMT2AALDH1A1
SCHEMBL17978569 0.62 HTT (0.46) MAPTKMT2AHTTSMN1; SMN2SLC5A1
SCHEMBL31481312 0.61 ALDH1A1 (0.44) MAPTMAPK1KMT2AALDH1A1HTT

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed