SCHEMBL17447286

SCHEMBL17447286

CCOC(=O)c1cnc2cc(I)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.61
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGDS O60760 3/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44

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
SCHEMBL10465995 0.87 MAOB (0.65) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL8001650 0.86 MAOB (0.71) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL2202317 0.84 MAOB (0.66) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL5647010 0.83 MAOB (0.61) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL4156881 0.83 MAOB (0.61) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL4538765 0.83 MAOB (0.61) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL2204650 0.83 MAOB (0.65) MAOBPDGFRBPDGFRANPC1RAB9A
SCHEMBL1040763 0.82 MAOB (0.80) MAOBHPGDS
SCHEMBL430324 0.81 MGAM (0.59) MAOBNPC1RAB9AALDH1A1MEN1
SCHEMBL25302023 0.81 MAOB (0.59) MAOBPDGFRBPDGFRANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 WO disclosed