SCHEMBL29700255

SCHEMBL29700255

C1=CCC(Cc2ccccc2)(NCc2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
IDO1 P14902 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA1 P00915 1/20 0.33
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29045567 0.87 MAPT (0.36) IDO1THRBMEN1KMT2ATDP1
SCHEMBL987820 0.87 MAPT (0.36) IDO1THRBMEN1KMT2ATDP1
SCHEMBL27945894 0.87 MAPT (0.36) IDO1THRBMEN1KMT2ATDP1
SCHEMBL9462490 0.82 MAOA (0.39) MAOAMAOBIDO1CA12CA2
Hydrochloric Acid SCHEMBL10383764 0.81 MAOA (0.38) MAOAMAOBIDO1CYP3A4MAPT
SCHEMBL31093124 0.77 MAOA (0.32) MAOAMAOB
SCHEMBL28734516 0.76 ALDH1A1 (0.35) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL31093128 0.76 LMNA (0.30)
SCHEMBL31093048 0.74
SCHEMBL31092908 0.72

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-114534665-B Expandable flow tube type photocatalytic reaction device and method 苏州大学张家港工业技术研究院 2023-05-23 CN disclosed
CN-114534665-A Expandable flow tube type photocatalytic reaction device and method 苏州大学张家港工业技术研究院 2022-05-27 CN disclosed