SCHEMBL20104491

SCHEMBL20104491

CCc1c(F)cccc1Oc1cc2ccc(F)c(F)c2nc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ FFAR1 O14842 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 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
SCHEMBL18796008 0.86 ALDH1A1 (0.32) FFAR1LMNAHTTPOLBMAPT
SCHEMBL26440720 0.85 PDE2A (0.34) FFAR1LMNAHTTPOLBMAPT
SCHEMBL23271477 0.84 GUCY1B2 (0.32) —
SCHEMBL18796398 0.83 MAP4K4 (0.34) FFAR1LMNAHTTPOLBMAPT
SCHEMBL18796130 0.81 ALDH1A1 (0.30) ALDH1A1ESR1
SCHEMBL19901396 0.81 ALDH1A1 (0.30) ALDH1A1ESR1
SCHEMBL21462316 0.81 ABCG2 (0.33) ALDH1A1ESR1
SCHEMBL21462376 0.81 KMT2A (0.32) KDM4EMAPTALDH1A1THRBESR1
SCHEMBL21858424 0.80 ALDH1A1 (0.33) HTTALDH1A1MEN1KMT2A
SCHEMBL18796243 0.80 — —

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-2018077711-A2 USE OF PYRAZIFLUMID FOR CONTROLLING SCLEROTINIA SPP IN SEED TREATMENT APPLICATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 — — WO disclosed
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