Bauerine B

Bauerine B

SCHEMBL3305155

Cn1c2cnccc2c2ccc(Cl)c(Cl)c21

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
ROCK2 O75116 6/20 0.41
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
CYP19A1 P11511 2/20 0.38
DYRK1A Q13627 3/20 0.37
NFATC1 O95644 2/20 0.37
GSK3B P49841 2/20 0.37
MAOA P21397 1/20 0.35
HASPIN Q8TF76 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
IMPDH2 P12268 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL1609661 0.76 ADORA3 (0.54) ROCK2ADORA3ADORA2ADYRK1ANFATC1
SCHEMBL25564874 0.75 ADORA3 (0.49) ROCK2ADORA3ADORA2ADYRK1ANFATC1
SCHEMBL25703709 0.73 IDO1 (0.41) ROCK2ADORA3ADORA2AMAOA
SCHEMBL18253293 0.72 ALKBH5 (0.64) ROCK2ADORA3ADORA2ADYRK1ANFATC1
Bauerine C SCHEMBL17867404 0.71 SIRT2 (0.48) SIRT2DYRK1AMAOAHASPIN
SCHEMBL2770057 0.70 ROCK2 (0.36) ROCK2ADORA3ADORA2ACYP19A1DYRK1A
SCHEMBL18357365 0.70 GABRP (0.51) ROCK2ADORA3ADORA2AMAOA
SCHEMBL2628358 0.70 ADORA3 (0.49) ROCK2ADORA3ADORA2ADYRK1ANFATC1
SCHEMBL21807233 0.69 ADORA3 (0.42) ROCK2ADORA3ADORA2ACYP19A1DYRK1A
SCHEMBL24311758 0.69 KDM4E (0.53) ROCK2CYP19A1DYRK1AMAOAHASPIN

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed