SCHEMBL7876018

SCHEMBL7876018

CCOC(=O)C(C#N)=NNc1ccc(C(=O)OC)c(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALOX12 P18054 4/20 0.41
GAA P10253 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAPGEF3 O95398 1/20 0.37
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL7876015 1.00 HPGD (0.53) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7871329 0.87 HPGD (0.53) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7871328 0.87 HPGD (0.53) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7871316 0.82 ALDH1A1 (0.39) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7871317 0.82 ALDH1A1 (0.39) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7877627 0.80 HPGD (0.51) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL7877614 0.80 HPGD (0.51) HPGDMEN1KMT2ATHRBMAPT
SCHEMBL8661923 0.73 CDK1 (0.43) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9201412 0.73 CDK1 (0.43) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8661476 0.72 CDK1 (0.45) HPGDMEN1KMT2AMAPTSMN1; 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
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