SCHEMBL6947341

SCHEMBL6947341

CCOc1nc(N)nc(N2CCc3ccccc3CC2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 6/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 1/20 0.46
HRH4 Q9H3N8 3/20 0.43
RPS27 P42677 4/20 0.43
MAPK8 P45983 3/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
SQOR Q9Y6N5 2/20 0.42
MAPK1 P28482 3/20 0.41

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
SCHEMBL6957783 0.87 HRH4 (0.44) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6950069 0.86 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6952682 0.85 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6945144 0.82 HRH4 (0.40) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6951533 0.82 HRH4 (0.43) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6951221 0.81 SQOR (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6948352 0.78 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6953831 0.77 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6951193 0.77 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6947498 0.75 CXCR4 (0.43) KDM4EALDH1A1MEN1KMT2AHPGD

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