SCHEMBL7980429

SCHEMBL7980429

Nc1cc(Br)c2c(c1N)CCN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PNMT P11086 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA1 P30542 3/20 0.45
ACHE P22303 2/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
LIMK1 P53667 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL7981491 0.95 KMT2A (0.51) KMT2AMEN1PNMTKDM4EALDH1A1
SCHEMBL7970103 0.89 MEN1 (0.50) KMT2AMEN1PNMTKDM4EALDH1A1
SCHEMBL7980176 0.87 GAA (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7980579 0.85 SIGMAR1 (0.47) PNMT
SCHEMBL8188636 0.84 KDM4E (0.45) KDM4EALDH1A1CASP1ADORA1DRD2
SCHEMBL7987036 0.83 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1ADORA1
SCHEMBL7981495 0.83 MEN1 (0.46) KMT2AMEN1PNMTKDM4EALDH1A1
SCHEMBL7980695 0.82 GAA (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7988064 0.80 SIGMAR1 (0.47) PNMT
SCHEMBL6784530 0.79 PNMT (0.38) KMT2AMEN1PNMTKDM4EALDH1A1

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