SCHEMBL22144249

SCHEMBL22144249

COC(=O)C[n+]1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 9/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ RPS6KB2 Q9UBS0 1/20 0.39

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
Bromide SCHEMBL22124893 0.98 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22144246 0.85 KDM4E (0.45) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22124909 0.84 KDM4E (0.42) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22144125 0.83 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22144244 0.82 KDM4E (0.36) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22144121 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL22144122 0.81 KDM4E (0.42) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL22124480 0.80 RXFP1 (0.40) ALDH1A1KDM4EKMT2AMEN1APOBEC3A
SCHEMBL22144087 0.77 NR4A2 (0.37) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL22144095 0.71 MAPT (0.37) ALDH1A1KDM4ERXFP1MAPTSMN1; SMN2

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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