SCHEMBL28052018

SCHEMBL28052018

CCCNC(=O)Oc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.77
SMN1; SMN2 Q16637 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
ACHE P22303 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL26136337 0.86 MGLL (0.67) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL25227685 0.84 MGLL (0.56) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL25222344 0.83 RAB9A (0.58) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL1895641 0.82 TAAR1 (0.58) MGLLNPC1GAARAB9ATAAR1
SCHEMBL28680181 0.81 MGLL (0.58) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL13799297 0.81 MGLL (0.54) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL28052009 0.81 L3MBTL1 (0.59) MGLLGAA
SCHEMBL11668425 0.80 MGLL (0.77) MGLL
SCHEMBL28687007 0.80 TRPV1 (0.53) MGLLSMN1; SMN2MMP2MMP9MMP14
SCHEMBL28195245 0.80 MGLL (0.52) MGLLSMN1; SMN2MMP2MMP9MMP14

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
CN-102917590-B Tricyclic compound and the PBK inhibitor containing described compound ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed