SCHEMBL8811099

SCHEMBL8811099

N#Cc1c(O)ccc(F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
CA3 P07451 2/20 0.36
CA6 P23280 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
AR P10275 2/20 0.35
IL4 P05112 1/20 0.34
HPGD P15428 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
SCHEMBL29381656 0.84 ALDH1A1 (0.48) ESR1ESR2KDM4EALDH1A1MEN1
SCHEMBL627326 0.84 ALDH1A1 (0.48) ESR1ESR2KDM4EALDH1A1MEN1
SCHEMBL4323122 0.84 TRPV4 (0.48) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL3652252 0.84 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL6736322 0.84 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL29176704 0.80 ESR1 (0.38) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL26659446 0.80 ESR1 (0.45) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL30978 0.79 ALDH1A1 (0.43) ESR1ESR2KDM4EALDH1A1TRPV4
SCHEMBL21236504 0.77 CNR2 (0.34) ESR1ESR2KDM4EALDH1A1MEN1
SCHEMBL15442788 0.73 TRPV4 (0.45) ESR1ESR2KDM4EALDH1A1TRPV4

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-9143139-A None JP disclosed
JP-H09143139-A PRODUCTION OF CYANOFLUOROPHENOL TOHKEM PROD:KK 1997-06-03 JP disclosed