SCHEMBL22144246

SCHEMBL22144246

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RPS6KB2 Q9UBS0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL22144125 0.92 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL22144249 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
Bromide SCHEMBL22124893 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL22124424 0.83 MAPT (0.37) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL22144102 0.77 PRNP (0.42) KDM4ESMN1; SMN2ALOX15MAPK1RXFP1
SCHEMBL22144116 0.74 KDM4E (0.32) KDM4EALDH1A1HPGDRXFP1CYP1A2
SCHEMBL22144244 0.74 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL22124909 0.73 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL22144248 0.73 NCF1 (0.36) ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL28629290 0.72 ALDH1A1 (0.33) ALDH1A1HPGDMAPTCYP1A2

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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