SCHEMBL8211532

SCHEMBL8211532

CCCCOC(=O)Nc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
HPGD P15428 7/20 0.71
LMNA P02545 1/20 0.71
NPC1 O15118 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
GAA P10253 1/20 0.57
EPHX2 P34913 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
CASP1 P29466 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
MCL1 Q07820 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL7565913 0.90 RAB9A (0.81) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL12285188 0.85 RAB9A (0.74) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL13665249 0.85 RAB9A (0.78) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL1188378 0.85 MAPT (0.66) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL30599548 0.85 MAPT (0.66) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL24218876 0.84 RAB9A (0.51) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10192011 0.84 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL27422626 0.84 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7565917 0.84 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL3860478 0.83 RAB9A (0.71) RAB9AHPGDLMNANPC1SMN1; SMN2

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-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed