SCHEMBL18925568

SCHEMBL18925568

C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
EPHX1 P07099 2/20 0.43
LMNA P02545 2/20 0.43
NPY1R P25929 7/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
RECQL P46063 1/20 0.40
SLC6A4 P31645 5/20 0.39
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21504170 1.00 GAA (0.66) GAAL3MBTL1KCNQ3KCNQ2KCNQ4
SCHEMBL20750746 1.00 GAA (0.66) GAAL3MBTL1KCNQ3KCNQ2KCNQ4
SCHEMBL30872892 1.00 GAA (0.66) GAAL3MBTL1KCNQ3KCNQ2KCNQ4
SCHEMBL3668041 0.80 GAA (1.00) GAAL3MBTL1KCNQ3KCNQ2EPHX1
SCHEMBL3671016 0.79 GAA (0.96) GAAL3MBTL1KCNQ3KCNQ2EPHX1
SCHEMBL21104687 0.79 GAA (0.96) GAAL3MBTL1KCNQ3KCNQ2EPHX1
SCHEMBL28091017 0.79 GAA (0.96) GAAL3MBTL1KCNQ3KCNQ2EPHX1
SCHEMBL3665297 0.79 GAA (0.96) GAAL3MBTL1KCNQ3KCNQ2EPHX1
Hydrochloric Acid SCHEMBL28720089 0.77 GAA (0.93) GAAL3MBTL1EPHX1LMNAHPGD
SCHEMBL21997439 0.77 GAA (0.58) GAAL3MBTL1KCNQ3KCNQ2KCNQ4

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-3176154-B1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARM INC (US) 2019-02-20 EP disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed