SCHEMBL8994403

SCHEMBL8994403

CC1(C(=O)O)CCC1n1c(-c2ccc(Cl)cc2)c(C#N)c(Cl)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KMT2A Q03164 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 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
SCHEMBL8994387 0.90 POLB (0.34) POLBMAPTKMT2AFNTAFNTB
SCHEMBL8994382 0.84 GRIA2 (0.32) POLBMAPTFFAR4GRIA2GRIA4
SCHEMBL8994488 0.80 GRIA2 (0.34) POLBMAPTKMT2AFNTAFNTB
SCHEMBL8994418 0.78 POLB (0.34) POLBMAPTGRIA2GRIA4
SCHEMBL8994385 0.73 POLB (0.37) POLBMAPTKMT2AGRIA2GRIA4
SCHEMBL8994400 0.72 POLB (0.36) POLBMAPTKMT2AGRIA2GRIA4
SCHEMBL8976138 0.70 ALDH1A1 (0.41) POLBKMT2AGRIA2GRIA4KDM4E
SCHEMBL8994390 0.68 L3MBTL1 (0.35) POLBMAPTKMT2AKDM4EMEN1
SCHEMBL8994459 0.67 KDM4E (0.40) POLBMAPTKMT2AKDM4EMEN1
SCHEMBL8994386 0.67 PAX8 (0.35) POLBMAPTKMT2AMEN1ALDH1A1

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
EP-0594941-B1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed