SCHEMBL2127343

SCHEMBL2127343

Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CC3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.71
ALDH1A1 P00352 9/20 0.71
HSD17B10 Q99714 4/20 0.71
HPGD P15428 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
RECQL P46063 1/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2127495 0.86 ALDH1A1 (0.77) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL2126105 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL2127640 0.82 KMT2A (0.68) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL12594516 0.82 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL13496424 0.82 OPRK1 (0.69) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL13496420 0.80 KDM4E (0.81) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL12594188 0.79 KDM4E (0.76) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL13496429 0.77 KDM4E (0.78) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL2128164 0.77 ALDH1A1 (0.61) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL2425749 0.72 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10HPGDNPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185507-B1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-25 EP claimed
EP-2185507-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES Bayer CropScience SA (FR) 2010-05-19 EP claimed
WO-2009016221-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-02-05 WO claimed
EP-2185507-B1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-25 EP disclosed
EP-2185507-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES Bayer CropScience SA (FR) 2010-05-19 EP disclosed
WO-2009016221-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-02-05 WO disclosed