SCHEMBL8948524

SCHEMBL8948524

CC1(C)Cc2ccc(F)c(C#N)c2O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PGR P06401 1/20 0.32
HTR2A P28223 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31

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
SCHEMBL29153760 0.84 MALT1 (0.33) ALDH1A1LMNAPKMKDM4EHPGD
SCHEMBL8386115 0.81 PKM (0.36) ALDH1A1LMNAPKMNPSR1GAA
SCHEMBL8389950 0.80 KMT2A (0.38) ALDH1A1LMNANPSR1GAAMEN1
SCHEMBL8948775 0.75 ALDH1A1 (0.39) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL18305611 0.74 ALDH1A1 (0.35) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL29153749 0.73 ESR1 (0.32) ALDH1A1KDM4EHPGDHSD17B10HTR2A
SCHEMBL30507827 0.71
SCHEMBL25317647 0.71 TRPV4 (0.33) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL18536181 0.70 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL8940091 0.70 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPKMNPSR1

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed