SCHEMBL7226441

SCHEMBL7226441

CC(C)(C)c1ccc(/C(C#N)=C(/O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 5/20 0.39
RAPGEF4 Q8WZA2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KIF11 P52732 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 2/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
POLB P06746 1/20 0.35
GALK1 P51570 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7226446 1.00 RAPGEF3 (0.39) RAPGEF3RAPGEF4MEN1KMT2AKIF11
SCHEMBL7066568 0.83 LMNA (0.40) MEN1KMT2AMAPTKCNK3KCNK9
SCHEMBL7066549 0.83 MGLL (0.45) MEN1KMT2AMAPTKCNK3KCNK9
SCHEMBL7066546 0.83 MGLL (0.45) MEN1KMT2AMAPTKCNK3KCNK9
SCHEMBL7066566 0.83 LMNA (0.40) MEN1KMT2AMAPTKCNK3KCNK9
SCHEMBL6078210 0.77 MEN1 (0.38) MEN1KMT2AKIF11NR1H4GRIA2
SCHEMBL6078207 0.77 MEN1 (0.38) MEN1KMT2AKIF11NR1H4GRIA2
SCHEMBL7235541 0.77 MEN1 (0.37) RAPGEF3RAPGEF4MEN1KMT2ANR1H4
SCHEMBL7235547 0.77 MEN1 (0.37) RAPGEF3RAPGEF4MEN1KMT2ANR1H4
SCHEMBL7226461 0.75 EPHX2 (0.36) RAPGEF3RAPGEF4MEN1KMT2AMAPT

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-6624179-B1 Analyzed by reversed phase liquid chromatography in which a packing comprising silica having chemically bonded thereto an alkyl group selected from trimethyl, octyl and octadecyl, is used as the stationary phase, and a polar solvent selected ISHIHARA SANGYO KAISHA LTD. (JP) 2003-09-23 US disclosed
EP-1201646-A1 GEOMETRICAL ISOMER OF ACRYLONITRILE COMPOUND, MIXTURE THEREOF, AND PROCESS FOR PRODUCING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 EP disclosed