SCHEMBL29644016

SCHEMBL29644016

COCc1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.43
▸ ACHE P22303 7/20 0.43
▸ CNR1 P21554 6/20 0.43
▸ F2RL3 Q96RI0 4/20 0.41
▸ MAPT P10636 3/20 0.38
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL2144668 0.92 F2RL3 (0.37) CNR2ACHECNR1F2RL3MAPT
SCHEMBL22445989 0.85 CNR2 (0.48) CNR2ACHECNR1F2RL3MAPT
SCHEMBL29644071 0.84 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL30183407 0.84 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL3517141 0.84 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL2470918 0.84 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL2144082 0.82 ELANE (0.41) CNR2ACHECNR1F2RL3MAPT
SCHEMBL3516322 0.82 CNR2 (0.43) CNR2ACHECNR1F2RL3MAPT
SCHEMBL29643957 0.81 CNR2 (0.41) CNR2ACHECNR1F2RL3MAPT
SCHEMBL29643912 0.81 CNR1 (0.36) CNR2ACHECNR1

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
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