SCHEMBL22038218

SCHEMBL22038218

CCSc1cc(C2(C(=O)O)CC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LPAR1 Q92633 2/20 0.31
▸ LPAR3 Q9UBY5 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ APP P05067 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22038214 0.92 POLB (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL17986795 0.91 POLB (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL17844036 0.84 POLB (0.43) POLBAGBL2EGLN1KMT2AMEN1
SCHEMBL29431598 0.84 POLB (0.52) POLBAGBL2EGLN1KMT2AMEN1
SCHEMBL14677239 0.84 POLB (0.52) POLBAGBL2EGLN1KMT2AMEN1
SCHEMBL30122217 0.83 POLB (0.42) POLB
SCHEMBL20267583 0.83 POLB (0.42) POLB
SCHEMBL17858006 0.83 POLB (0.42) POLBAGBL2KMT2AMEN1LPAR1
SCHEMBL28453222 0.82 POLB (0.50) POLBAGBL2EGLN1KMT2AMEN1
SCHEMBL22036956 0.82 POLB (0.41) POLB

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
EP-3233851-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-27 — — EP disclosed
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