SCHEMBL19976645

SCHEMBL19976645

O=C(NCC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
P2RX7 Q99572 5/20 0.41
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
KDM4E B2RXH2 1/20 0.39
SCD O00767 1/20 0.39
NR3C1 P04150 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19975805 0.89 ALDH1A1 (0.45) ALDH1A1GAALMNAP2RX7CTNNB1
SCHEMBL19976651 0.87 ALDH1A1 (0.42) ALDH1A1GAALMNAP2RX7CTNNB1
SCHEMBL16711799 0.85 ALDH1A1 (0.51) ALDH1A1GAALMNAP2RX7CTNNB1
SCHEMBL19976665 0.84 GLA (0.52) ALDH1A1GAALMNAP2RX7KDM4E
SCHEMBL19975802 0.83 ALDH1A1 (0.47) ALDH1A1GAALMNAP2RX7KDM4E
SCHEMBL19975806 0.81 ALDH1A1 (0.41) ALDH1A1GAALMNAP2RX7CTNNB1
SCHEMBL16711830 0.78 LMNA (0.47) ALDH1A1GAALMNACTNNB1WNT3A
SCHEMBL21303707 0.76 ALDH1A1 (0.44) ALDH1A1GAALMNAP2RX7KDM4E
SCHEMBL19975807 0.76 LMNA (0.45) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL19063450 0.75 CYP1A2 (0.41) ALDH1A1GAALMNAP2RX7POLB

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
US-9920046-B2 Oxime-substituted amide compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-20 US disclosed