SCHEMBL20899573

SCHEMBL20899573

CC(C)(C)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
MAPT P10636 7/20 0.64
SIRT6 Q8N6T7 2/20 0.60
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.54
ADRB1 P08588 1/20 0.53
HSD11B1 P28845 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.48

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
SCHEMBL1475852 0.94 SIRT6 (0.68) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL7048817 0.86 MAPT (0.85) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL1851861 0.84 MAPT (0.89) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL28901607 0.81 MEN1 (0.66) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL378458 0.81 MAPT (0.96) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL6151230 0.80 SIRT6 (0.81) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL15271381 0.80 SIRT6 (0.81) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL3569406 0.80 LMNA (1.00) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL85552 0.79 MAPT (1.00) LMNAMAPTSIRT6POLBALDH1A1
SCHEMBL223626 0.79 MAPT (1.00) LMNAMAPTSIRT6POLBALDH1A1

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-3694509-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
WO-2019074981-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GiraFpharma LLC (US) 2019-04-18 WO disclosed