SCHEMBL16552201

SCHEMBL16552201

O=C(NCC(F)(F)c1ncc(-c2cnc(F)c(F)c2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTGES O14684 8/20 0.38
▸ P2RX7 Q99572 4/20 0.38
▸ CHRM3 P20309 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL16665063 0.91 P2RX7 (0.38) LMNAGAAP2RX7CHRM3TP53
SCHEMBL16665046 0.90 LMNA (0.41) LMNAGAAPTGESP2RX7CHRM3
SCHEMBL18503625 0.89 CHRM3 (0.40) LMNAGAAPTGESP2RX7CHRM3
SCHEMBL16665050 0.89 GRIN2B (0.43) P2RX7TP53
SCHEMBL16665036 0.89 TP53 (0.45) LMNAGAAP2RX7TP53CNR2
SCHEMBL17991472 0.89 P2RX7 (0.41) LMNAGAAPTGESP2RX7TP53
SCHEMBL16665066 0.88 HIF1A (0.40) LMNAGAAP2RX7POLBHPGD
SCHEMBL17917768 0.88 P2RX7 (0.39) LMNAGAAPTGESP2RX7TP53
SCHEMBL16654673 0.88 P2RX7 (0.44) LMNAGAAP2RX7KDM4ECNR2
SCHEMBL16665062 0.88 P2RX7 (0.40) LMNAGAAPTGESP2RX7KDM4E

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
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 — — EP disclosed
WO-2015028427-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-03-05 — — WO disclosed
Send feedback