SCHEMBL11184649

SCHEMBL11184649

C=C(C)COc1nc(OCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ MGMT P16455 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ GAA P10253 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX12 P18054 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
SCHEMBL11188636 1.00 CDK1 (0.36) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11197621 0.98 CDK1 (0.37) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL2487338 0.87 CDK1 (0.39) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11183310 0.84 HTT (0.35) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL4654620 0.75 CDK1 (0.35) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL15004890 0.74 BTN3A1 (0.35) HTTPOLBCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL23037265 0.73 CDK1 (0.47) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL9683647 0.73 RAB9A (0.40) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11587263 0.72 NR5A1 (0.47) CDK1CCNB1
SCHEMBL11009919 0.72 NR5A1 (0.47) CDK1CCNB1

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
US-4369207-A PHOTOPOLYMERIZING TEIJIN LIMITED (JP) 1983-01-18 — — US claimed
Send feedback