SCHEMBL27766009

SCHEMBL27766009

CC(C)(C)OC(=O)n1[c]cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.36
DRD2 P14416 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL27766001 0.80 GPR119 (0.39) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL27666917 0.79 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL475285 0.79 NPC1 (0.41) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL28993218 0.79 KDM4E (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3339817 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL31532161 0.77 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL312821 0.77 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL29540947 0.76 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL5446082 0.76 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL27765914 0.76 NR1H2 (0.41)

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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed