SCHEMBL7751858

SCHEMBL7751858

CNC(=O)/C(=N/OC)c1ccccc1/C(=N\OCc1c(C)noc1C)OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 6/20 0.38
TSHR P16473 4/20 0.38
AKR1C3 P42330 7/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL7753153 0.91 ALDH1A1 (0.44) KMT2AALDH1A1TSHRAKR1C3KDM4E
SCHEMBL7752172 0.91 ALDH1A1 (0.44) KMT2AALDH1A1TSHRAKR1C3KDM4E
SCHEMBL7751848 0.81 ALDH1A1 (0.43) KMT2AALDH1A1TSHRAKR1C3KDM4E
SCHEMBL7747848 0.80 ALDH1A1 (0.41) KMT2AALDH1A1TSHRAKR1C3KDM4E
SCHEMBL7747866 0.79 ALDH1A1 (0.41) KMT2AALDH1A1TSHRAKR1C3KDM4E
SCHEMBL8504220 0.70 HIF1A (0.45) ALDH1A1KDM4ERAB9A
SCHEMBL7752772 0.69 ALDH1A1 (0.33) KMT2AALDH1A1TSHRKDM4ENPSR1
SCHEMBL7758942 0.66 MEN1 (0.35) KMT2AALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL23972099 0.64 HIF1A (0.34)
SCHEMBL23972050 0.64 HIF1A (0.40) ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed