SCHEMBL7970103

SCHEMBL7970103

Nc1cc(Br)c2c(c1N)CCN(Cc1cccc(Cl)c1)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
ATM Q13315 2/20 0.50
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
CLPP Q16740 6/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
PNMT P11086 1/20 0.39

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
SCHEMBL7980429 0.89 KMT2A (0.51) MEN1KMT2AGAADRD2DRD4
SCHEMBL7980894 0.85 GAA (0.45) MEN1KMT2AGAAATMSIGMAR1
SCHEMBL7981491 0.84 KMT2A (0.51) MEN1KMT2AGAADRD2DRD4
SCHEMBL7987036 0.83 KDM4E (0.50) MEN1KMT2AGAASIGMAR1DRD2
SCHEMBL8188636 0.79 KDM4E (0.45) DRD2DRD4DRD3CLPPKDM4E
SCHEMBL7980176 0.77 GAA (0.47) MEN1KMT2AGAASIGMAR1DRD2
SCHEMBL7980579 0.75 SIGMAR1 (0.47) SIGMAR1PNMT
SCHEMBL6784530 0.74 PNMT (0.38) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL7981495 0.73 MEN1 (0.46) MEN1KMT2AGAADRD2DRD4
SCHEMBL4993341 0.72 MEN1 (0.51) MEN1KMT2AGAAATMSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US claimed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO claimed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO disclosed