SCHEMBL21590031

SCHEMBL21590031

CCSc1cc(C2(N)CC2)ccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ BCDIN3D Q7Z5W3 7/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL21586207 0.86 POLB (0.41) POLBALDH1A1
SCHEMBL21590016 0.86 POLB (0.41) POLB
SCHEMBL10280988 0.85 POLB (0.49) POLB
SCHEMBL10281056 0.83 POLB (0.48) POLBALDH1A1
SCHEMBL10280699 0.83 POLB (0.48) POLBALDH1A1LMNAGAAMAPT
SCHEMBL10280732 0.82 POLB (0.47) POLBALDH1A1MAPTHTT
SCHEMBL21589993 0.81 — —
SCHEMBL15411967 0.81 POLB (0.49) POLBALDH1A1LMNAMAPT
SCHEMBL25519188 0.81 POLB (0.41) POLBBCDIN3D
SCHEMBL15427238 0.81 POLB (0.46) 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
WO-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — WO disclosed
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