SCHEMBL29643983

SCHEMBL29643983

C=C(OCC)c1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
F2 P00734 5/20 0.44
PLAU P00749 5/20 0.44
CTRB1 P17538 5/20 0.44
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
ACHE P22303 2/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.39
KLKB1 P03952 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 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
SCHEMBL23783187 1.00 ELANE (0.46) ELANEF2PLAUCTRB1CNR2
SCHEMBL25444558 0.88 CNR2 (0.42) ELANEF2PLAUCTRB1CNR2
SCHEMBL23782916 0.85 ELANE (0.43) ELANEF2PLAUCTRB1CNR2
SCHEMBL4007969 0.85 ELANE (0.45) ELANEF2PLAUCTRB1CNR2
SCHEMBL23782945 0.83 ELANE (0.41) ELANEMAPTLMNAALDH1A1
SCHEMBL22445983 0.82 ELANE (0.41) ELANEF2PLAUCTRB1CNR2
SCHEMBL29643935 0.80 CNR2 (0.42) ELANEF2PLAUCTRB1CNR2
SCHEMBL3517132 0.80 ELANE (0.41) ELANEF2PLAUCTRB1CNR2
SCHEMBL2470918 0.79 CNR2 (0.45) ELANEF2PLAUCTRB1CNR2
SCHEMBL3517141 0.79 CNR2 (0.45) ELANEF2PLAUCTRB1CNR2

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
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed