SCHEMBL8980601

SCHEMBL8980601

O=C1c2cc(Br)ccc2OCN1CCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PBRM1 Q86U86 1/20 0.35
MAP3K5 Q99683 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH3A1 P30838 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CUL4A Q13619 1/20 0.33

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
SCHEMBL8636633 0.87 MAPT (0.41) ALDH1A1PBRM1KMT2AESR1ESR2
SCHEMBL8368757 0.83 KDM4E (0.35)
SCHEMBL8640110 0.83 ALDH1A1 (0.40) APPALDH1A1MEN1KMT2A
SCHEMBL8980606 0.83 FABP6 (0.41) CYP19A1ALDH1A1MEN1KMT2APRMT5
SCHEMBL8573189 0.83 MAOB (0.40) CYP19A1ALDH1A1
SCHEMBL9174068 0.83 MEN1 (0.43) CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL8980607 0.81 PARP1 (0.39) ALDH1A1KMT2A
SCHEMBL7249895 0.80 KDM4E (0.40) ALDH1A1ESR1
SCHEMBL8575144 0.80 MAPT (0.44) CYP19A1ALDH1A1
SCHEMBL8654922 0.80 CASP3 (0.40) PRMT5WDR77

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-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed