SCHEMBL22144116

SCHEMBL22144116

COS(=O)(=O)CC[n+]1ccc2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL22144117 0.85 KDM4E (0.33) KDM4EALDH1A1POLBRAB9ACYP1A2
SCHEMBL22124895 0.81 ALDH1A1 (0.43) KDM4EALDH1A1RXFP1POLBRAB9A
SCHEMBL22144073 0.79 TNF (0.31) CYP1A2CYP2C19
SCHEMBL22144235 0.78 KDM4E (0.32) KDM4EALDH1A1POLBRAB9AHPGD
SCHEMBL22144266 0.75 ALDH1A1 (0.50) KDM4EALDH1A1RXFP1POLBBCHE
SCHEMBL22336153 0.75 — —
SCHEMBL22335813 0.75 — —
SCHEMBL22144254 0.74 BCHE (0.33) KDM4EALDH1A1RXFP1POLBRAB9A
SCHEMBL22144246 0.74 KDM4E (0.45) KDM4EALDH1A1RXFP1CYP1A2CYP2C19
SCHEMBL22144248 0.73 NCF1 (0.36) ALDH1A1CYP1A2CYP2C19BCHE

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
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO disclosed
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