SCHEMBL8994488

SCHEMBL8994488

CC1(C(=O)O)CC1n1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
RXFP1 Q9HBX9 1/20 0.30
PIK3CA P42336 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) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL8994382 0.88 GRIA2 (0.32) GRIA2GRIA4POLBMAPT
SCHEMBL8994403 0.80 POLB (0.33) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL9211327 0.75 MAPT (0.39) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL9423599 0.74 KDM4E (0.38) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL8994487 0.74 POLB (0.36) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL8994475 0.73 MEN1 (0.34) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9212060 0.73 ALDH1A1 (0.36) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL8994449 0.72 KDM4E (0.39) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL7548622 0.72 KDM4E (0.39) GRIA2GRIA4POLBMAPTKMT2A

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