SCHEMBL28319983

SCHEMBL28319983

NC(=O)C(F)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.42
POLB P06746 2/20 0.41
CTNNB1 P35222 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TEAD4 Q15561 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL23202688 0.91 PPARG (0.40) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL3559428 0.83 CYP1A2 (0.46) MTNR1AMTNR1BMEN1KMT2ACYP2C19
SCHEMBL16835744 0.79 CTSD (0.48) POLBMTNR1AMTNR1BMEN1KMT2A
SCHEMBL11884465 0.78 PARP10 (0.45) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL216782 0.77 PARP10 (0.44) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL5214433 0.77 PARP10 (0.44) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL995776 0.75 LDHA (0.52) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL31560867 0.75 CYP1A2 (0.47) CYP2C19CYP1A2GAACYP2C9PKM
SCHEMBL7408531 0.75 PARP10 (0.42) PARP10POLBCTNNB1MTNR1AMTNR1B
SCHEMBL2007632 0.75 PARP10 (0.42) PARP10POLBCTNNB1MTNR1AMTNR1B

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
CN-110191883-A Thiobenzimidazole as fungicide 瑞戴格作物保护公司 2019-08-30 CN disclosed
CN-109071495-A Agricultural chemicals 瑞戴格作物保护公司 2018-12-21 CN disclosed