SCHEMBL28805960

SCHEMBL28805960

NCCNC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
CYP19A1 P11511 2/20 0.40
MAOA P21397 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 2/20 0.39
KIF11 P52732 1/20 0.39
KMT2A Q03164 1/20 0.38
CHAT P28329 2/20 0.38
HTR2A P28223 3/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL28247388 0.89 LMNA (0.39) MAOBCYP19A1MAOANPC1RAB9A
SCHEMBL27559000 0.79 MAOB (0.41) MAOBCYP19A1MAOANPC1RAB9A
SCHEMBL10628442 0.79 HDAC3 (0.42) MAOBNPC1RAB9AKMT2ACHAT
SCHEMBL3408178 0.79 NPC1 (0.44) MAOBNPC1RAB9AKMT2AHTT
SCHEMBL13001962 0.78 MMP1 (0.53) MAOBMAOANPC1RAB9AIDO1
SCHEMBL27442132 0.78 MMP1 (0.53) MAOBMAOANPC1RAB9AIDO1
SCHEMBL10628647 0.76 HDAC3 (0.51) MAOBNPC1RAB9AKMT2AHTT
SCHEMBL1506756 0.75 EGFR (0.54) KMT2AHTT
SCHEMBL1507314 0.74 MAOB (0.44) MAOBNPC1RAB9ACHATHTR2A
SCHEMBL11281860 0.74 MAOB (0.44) MAOBCYP19A1MAOANPC1RAB9A

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
CN-103087245-B Functional resin containing 4,6-dimercapto-1,3,5-triazine alkali metal salt and preparation method thereof JIENTE NEW MATERIAL TECHNOLOGY CO LTD 2015-02-25 CN disclosed
CN-103087245-A Functional resin containing 4,6-dimercapto-1,3,5-triazine alkali metal salt and preparation method thereof JIENTE NEW MATERIAL TECHNOLOGY CO LTD 2013-05-08 CN disclosed