SCHEMBL19976651

SCHEMBL19976651

N#Cc1c(Cl)cnc(C(=O)CNC(=O)c2ccccc2C(F)(F)F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
P2RX7 Q99572 4/20 0.38
NR3C1 P04150 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SCD O00767 1/20 0.35

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
SCHEMBL19975806 0.90 ALDH1A1 (0.41) ALDH1A1GAALMNAP2RX7NR3C1
SCHEMBL19976645 0.87 ALDH1A1 (0.47) ALDH1A1GAALMNAP2RX7NR3C1
SCHEMBL19975805 0.81 ALDH1A1 (0.45) ALDH1A1GAALMNAP2RX7NR3C1
SCHEMBL16711799 0.80 ALDH1A1 (0.51) ALDH1A1GAALMNAP2RX7CTNNB1
SCHEMBL19976665 0.79 GLA (0.52) ALDH1A1GAALMNAP2RX7MAPT
SCHEMBL19975802 0.78 ALDH1A1 (0.47) ALDH1A1GAALMNAP2RX7MAPT
SCHEMBL16711830 0.73 LMNA (0.47) ALDH1A1GAALMNACTNNB1WNT3A
SCHEMBL21303707 0.72 ALDH1A1 (0.44) ALDH1A1GAALMNAP2RX7HPGD
SCHEMBL19975807 0.72 LMNA (0.45) ALDH1A1GAALMNAMAPTTP53
SCHEMBL19063450 0.71 CYP1A2 (0.41) ALDH1A1GAALMNAP2RX7EGLN1

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