SCHEMBL28236277

SCHEMBL28236277

C(=Cc1ccccc1)Cc1nccc2c1[nH]c1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
GLA P06280 7/20 0.63
MAPT P10636 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 2/20 0.63
ATM Q13315 2/20 0.63
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
S1PR4 O95977 1/20 0.51
LMNA P02545 1/20 0.51
S1PR1 P21453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TDO2 P48775 3/20 0.50

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
SCHEMBL10581945 0.83 KDM4E (0.59) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL27899790 0.77 GLA (1.00) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL27917573 0.76 KDM4E (0.59) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL11490695 0.75 KDM4E (0.71) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL1060136 0.75 TDO2 (0.63) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL11159950 0.73 KDM4E (0.60) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL5785176 0.73 KDM4E (0.68) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL2721049 0.73 KDM4E (0.68) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL5053765 0.71 KDM4E (0.58) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL10642447 0.71 KDM4E (0.58) KDM4EGLAMAPTMEN1KMT2A

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-108409732-B A kind of green synthesis method of B-carboline heterocyclic compound 温州大学 2019-08-27 CN disclosed
CN-108409732-A A kind of green synthesis method of B-carboline heterocyclic compound 温州大学 2018-08-17 CN disclosed