SCHEMBL8588050

SCHEMBL8588050

CCOC(=O)N1C=CC(OCC(F)(F)F)=C(C(=O)C2=C(OCC(F)(F)F)C=CN(C(=O)OCC)C2c2ccc(F)cc2)C1c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
KCNN4 O15554 1/20 0.34
P2RX3 P56373 1/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4057536 0.70 TSHR (0.40) ACHEBCHESMN1; SMN2NPC1RAB9A
SCHEMBL3956339 0.67 MAPT (0.41) ACHEBCHESMN1; SMN2NPC1RAB9A
SCHEMBL3065113 0.67 ALDH1A1 (0.41) ACHEBCHEMAPTALDH1A1
SCHEMBL4061392 0.66 TRPM8 (0.39) ACHEBCHESMN1; SMN2MAPTALDH1A1
SCHEMBL8588047 0.60 ALDH1A1 (0.36) ACHESMN1; SMN2NPC1RAB9AHRH2
SCHEMBL3062557 0.60 ATM (0.41) SMN1; SMN2P2RX3MAPTLMNAALDH1A1
SCHEMBL314260 0.58 KMT2A (0.54) SMN1; SMN2NPC1RAB9AHTR7MAPT
SCHEMBL6638147 0.58 NPC1 (0.66) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL9120044 0.58 NPSR1 (0.74) SMN1; SMN2HTTNPSR1LMNAALDH1A1
SCHEMBL9244575 0.58 ADRB2 (0.49) SMN1; SMN2NPC1RAB9AHTR7MAPT

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
JP-10001469-A None JP disclosed
JP-H101469-A INSECTICIDAL HYDRAZONE DERIVATIVE NIPPON BAYER AGROCHEM KK 1998-01-06 JP disclosed