SCHEMBL6945764

SCHEMBL6945764

CSCCc1nc(OCC(F)(F)F)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HTT P42858 5/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 2/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.33
PDE4A P27815 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
SCHEMBL6955400 0.89 PIK3CD (0.38) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6951221 0.89 SQOR (0.41) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6950700 0.87 PIK3CD (0.38) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6957443 0.86 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6948239 0.85 PIK3CD (0.39) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6947632 0.84 PIK3CD (0.39) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6956303 0.83 KDM4E (0.41) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6957307 0.81 LMNA (0.44) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6950069 0.81 KDM4E (0.42) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL6957239 0.78 PIK3CD (0.40) PIK3CDKDM4EALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074549-B1 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors HOFFMANN LA ROCHE (CH) 2003-11-19 EP disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed