SCHEMBL22038214

SCHEMBL22038214

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 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
▸ CNR1 P21554 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
SCHEMBL22038218 0.92 POLB (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL17986795 0.90 POLB (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL17844159 0.84 POLB (0.42) POLBKMT2AMEN1LMNACNR1
SCHEMBL29431598 0.83 POLB (0.52) POLBKMT2AMEN1ALDH1A1
SCHEMBL14677239 0.83 POLB (0.52) POLBKMT2AMEN1ALDH1A1
SCHEMBL17858002 0.83 POLB (0.41) POLBKMT2AMEN1
SCHEMBL30122217 0.82 POLB (0.42) POLBCYP1A2
SCHEMBL20267583 0.82 POLB (0.42) POLBCYP1A2
SCHEMBL22036956 0.81 POLB (0.41) POLB
SCHEMBL23971584 0.80 POLB (0.50) POLBKMT2AMEN1ALDH1A1

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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