SCHEMBL6705347

SCHEMBL6705347

O=C1c2ccccc2C=CC1(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RECQL P46063 3/20 0.42
IDO1 P14902 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
BCHE P06276 2/20 0.42
POLB P06746 2/20 0.42
PTPRC P08575 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
CES1 P23141 2/20 0.42
ALOX15 P16050 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL4228062 0.75 ALDH1A1 (0.42) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL29791582 0.73 ALDH1A1 (0.41) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL30601848 0.69 IDO1 (0.37) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL29100411 0.69 IDO1 (0.37) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL3895768 0.69 ALDH1A1 (0.41) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL2410771 0.68 ALDH1A1 (0.36) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL7049144 0.67 ALDH1A1 (0.38) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL7720345 0.67 LRRK2 (0.38) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL12474947 0.66 IDO1 (0.34) MEN1KMT2ARECQLIDO1ALDH1A1
SCHEMBL5161550 0.66 CYP2D6 (0.38) MEN1KMT2ARECQLIDO1ALDH1A1

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
JP-2004026779-A 1-SUBSTITUTED-2-FLUORONAPHTHALENE DERIVATIVE AND METHOD FOR PRODUCING THE SAME DAINIPPON INK & CHEM INC 2004-01-29 JP disclosed