SCHEMBL8854441

SCHEMBL8854441

COS(=O)(=O)c1c(C)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.36
NFE2L2 Q16236 2/20 0.35
SCN8A Q9UQD0 1/20 0.34
NR1H2 P55055 4/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
AR P10275 1/20 0.33
CES1 P23141 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
NR1H3 Q13133 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8463565 0.85 KMT2A (0.39) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8412043 0.82 MEN1 (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8411502 0.82 KMT2A (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854526 0.82 KMT2A (0.35) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854736 0.81 NFE2L2 (0.42) KMT2AGAANFE2L2ARSLC22A12
SCHEMBL28231669 0.80 MEN1 (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854662 0.80 GABRA1 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854673 0.79 KMT2A (0.34) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2127253 0.79 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8409006 0.79 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed