SCHEMBL2717879

SCHEMBL2717879

Fc1ccc2nc(CCBr)c(-c3ccccc3)c(Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.39
DHODH Q02127 5/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
RORC P51449 2/20 0.36
DPP4 P27487 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NT5E P21589 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 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
SCHEMBL2718713 0.87 POLB (0.45) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2719493 0.84 FABP3 (0.50) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2719340 0.81 DHODH (0.46) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2719787 0.81 DHODH (0.46) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2721870 0.80 SMN1; SMN2 (0.47) KDM4EALDH1A1HTTMAPTRXFP1
SCHEMBL2720125 0.79 RORC (0.53) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2717114 0.77 DHODH (0.57) DHODHPRNP
SCHEMBL2717296 0.74 GNRHR (0.43) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL2717878 0.74 PIK3CD (0.43) POLBKDM4EMEN1ALDH1A1HTT
SCHEMBL2718718 0.73 PIK3CD (0.47) POLBKDM4EMEN1ALDH1A1HTT

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-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed