Sugi Predict

Sugi Predict / Compounds / SCHEMBL28793979

SCHEMBL28793979

SCHEMBL28793979

C=Cc1ccccc1-c1csc(C2CCN(C(Cn3nc(C(F)(F)F)cc3C)C(=O)C(Cn3nc(C(F)(F)F)cc3C)N3CCC(c4nc(-c5ccccc5C=C)cs4)CC3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CCR1 P32246 2/20 0.32
▸ FAAH O00519 4/20 0.32
▸ SPR P35270 1/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL28790773 0.85 GAA (0.33) GAAKDM4EPOLBTSHRCCR1
SCHEMBL28793977 0.81 KDM4E (0.37) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27915189 0.81 GAA (0.40) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27891244 0.81 KDM4E (0.38) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27828775 0.80 GAA (0.38) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27844626 0.80 GAA (0.39) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27884033 0.80 FAAH (0.55) FAAH
SCHEMBL27859278 0.80 FAAH (0.55) FAAH
SCHEMBL27891229 0.79 GAA (0.39) GAAKDM4EPOLBTSHRCCR1
SCHEMBL28785973 0.79 FAAH (0.41) FAAH

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
CN-102216296-A Heterocyclyl-substituted thiazoles as plant protection agents BAYER CROPSCIENCE AG 2011-10-12 — — CN disclosed