SCHEMBL9145657

SCHEMBL9145657

CN1CC2C[C@H]1CN2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL2720160 1.00 SIRT6 (0.46) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL9145647 1.00 SIRT6 (0.46) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL29581173 0.88 MEN1 (0.48) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL10510829 0.82 POLB (0.47) SIRT6MEN1KMT2AMAPTPOLB
SCHEMBL1890695 0.81 MEN1 (0.42) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL2392194 0.81 SIRT6 (0.40) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL1894425 0.81 MEN1 (0.42) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL3411641 0.80 ALDH1A1 (0.45) LMNAMAPTALDH1A1
SCHEMBL2718838 0.79 DRD3 (0.42) SIRT6MEN1KMT2AMAPTPOLB
SCHEMBL30912607 0.79 ALDH1A1 (0.51) LMNAMEN1KMT2AMAPTALDH1A1

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-5478939-A Muscarinic agents AMERICAN CYANAMID COMPANY (US) 1995-12-26 US disclosed