SCHEMBL11147011

SCHEMBL11147011

CCn1nc(C#N)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.47
▸ CNR1 P21554 5/20 0.47
▸ ACHE P22303 4/20 0.47
▸ ELANE P08246 2/20 0.47
▸ MAPT P10636 6/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.37

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
SCHEMBL11146995 0.83 MAPT (0.50) CNR2CNR1ACHEELANEMAPT
SCHEMBL11153043 0.78 LMNA (0.46) CNR2CNR1ACHEELANEMAPT
SCHEMBL11146591 0.78 LMNA (0.57) CNR2CNR1ACHEELANEMAPT
SCHEMBL22151026 0.78 MAPT (0.52) CNR2CNR1ACHEELANEMAPT
SCHEMBL264907 0.78 ADORA2A (0.54) CNR2CNR1ACHEELANEMAPT
SCHEMBL14923649 0.77 MAPT (0.51) CNR2CNR1ACHEELANEMAPT
SCHEMBL26630273 0.77 MAPT (0.51) CNR2CNR1ACHEELANEMAPT
SCHEMBL14923625 0.77 MAPT (0.51) CNR2CNR1ACHEELANEMAPT
SCHEMBL3652448 0.77 MAPT (0.51) CNR2CNR1ACHEELANEMAPT
SCHEMBL15409670 0.76 ELANE (0.53) CNR2CNR1ACHEELANEMAPT

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
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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