SCHEMBL9625802

SCHEMBL9625802

NC(=O)c1cccc(OCC(F)(F)F)c1OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PARP1 P09874 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
UGCG Q16739 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL17045050 0.86 CTNNB1 (0.54) CYP1A2CYP2C9SCN9AKDM4EMEN1
SCHEMBL6600427 0.86 FABP3 (0.47) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL3441526 0.85 HTT (0.54) CYP1A2CYP2C9KDM4EMEN1KMT2A
SCHEMBL28152797 0.81 MEN1 (0.43) CYP1A2CYP2C9SCN9AKDM4EMEN1
Acetic Acid SCHEMBL5482846 0.80 HTT (0.52) CYP1A2CYP2C9SCN9AKDM4EMEN1
SCHEMBL10456764 0.76 HTR2B (0.48) KDM4EMEN1KMT2APARP1MAPT
SCHEMBL15923208 0.76 EPHX2 (0.42) SCN9AKDM4EMEN1KMT2APARP1
SCHEMBL3189724 0.76 TSHR (0.53) CYP1A2MEN1KMT2AMAPTHTT
SCHEMBL15955406 0.76 HCRTR2 (0.42) CYP1A2CYP2C9SCN9APARP1HTT
SCHEMBL28818899 0.75 CYP1A2 (0.47) CYP1A2CYP2C9SCN9AKDM4EMEN1

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
EP-0265496-B1 FLECAINIDE DERIVATIVES AND THEIR USE IN IMMUNOASSAYS RIKER LABORATORIES, INC. (US) 1992-03-18 EP claimed
EP-0265496-B1 FLECAINIDE DERIVATIVES AND THEIR USE IN IMMUNOASSAYS RIKER LABORATORIES, INC. (US) 1992-03-18 EP disclosed