SCHEMBL27925547

SCHEMBL27925547

CCC(Sc1cccc(Br)c1)Sc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 5/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
C1S P09871 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
SCHEMBL17397032 0.85 MAOA (0.47) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL3093787 0.78 MAOA (0.55) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL31275816 0.78 MAOA (0.55) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL27944855 0.75 MAOA (0.44) MAOAALDH1A1TAAR1MAOB
SCHEMBL5174689 0.74 ALDH1A1 (0.42) MAOAALDH1A1MAPK1MAPTMAOB
SCHEMBL1710499 0.74 MAOA (0.65) MAOAALDH1A1MAPK1MAPTNPSR1
SCHEMBL100217 0.74 MAOA (0.59) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL16057403 0.74 MAOA (0.46) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL31299577 0.74 MAOA (0.59) MAOAALDH1A1MAPK1TAAR1MAPT
SCHEMBL19876742 0.73 MAOA (0.68) MAOAALDH1A1MAPK1MAPTNPSR1

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-103420880-A Derivatives of pesticide nereistoxin and preparation method of derivatives GAUNGXI TIANYUAN BIOCHEMISTRY 2013-12-04 CN disclosed