SCHEMBL2590919

SCHEMBL2590919

O=C1Nc2cc(Cl)ccc2C1NN=CCc1cc2ccccc2oc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ADAM17 P78536 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.34
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
POLB P06746 1/20 0.33
TERT O14746 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL2587847 0.76 MAPT (0.51) MAOBMAOATDP1L3MBTL1MAPT
SCHEMBL2590916 0.69 MAOB (0.36) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL10362377 0.64 MAOB (0.59) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21014987 0.64 POLB (0.37) POLBNPC1RAB9A
SCHEMBL8366995 0.64 MAOB (0.57) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL9233570 0.63 MAOA (0.51) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL3267547 0.63 MAOA (0.54) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL1284464 0.61 MAOA (0.58) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL7143401 0.61 MMP2 (0.52) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL7142290 0.61 POLB (0.51) MAOBMAOAMMP2MMP9ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP claimed
WO-2011140215-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 WO claimed
EP-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP disclosed
WO-2011140215-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 WO disclosed