SCHEMBL7871316

SCHEMBL7871316

CCOC(=O)/C(=N/Nc1ccc(C(=O)OC)c(S(=O)(=O)NC(C)(C)C)c1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.35
GAA P10253 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 1/20 0.33
USP10 Q14694 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL7871317 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7876015 0.82 HPGD (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7876018 0.82 HPGD (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8661923 0.72 CDK1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9201412 0.72 CDK1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7690043 0.71 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7953153 0.71 CA1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7944355 0.70 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7871321 0.70 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8667253 0.70 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD

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
US-6331506-B1 Disubstituted methylidene hydrazinophenyl sulfonylureas, process for their production and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2001-12-18 US disclosed