SCHEMBL8158698

SCHEMBL8158698

CCC(CC)c1nc(-c2nc(N)nc(N)n2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL8158896 0.91 — —
SCHEMBL8154022 0.88 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8160381 0.87 CDK1 (0.32) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9007777 0.86 CDK1 (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1198712 0.85 CDK1 (0.32) KDM4EALOX15L3MBTL1CDK1CCNB1
SCHEMBL157393 0.71 NOS2 (0.36) KDM4EALOX15L3MBTL1
SCHEMBL8324752 0.71 KDM4E (0.38) KDM4EALOX15L3MBTL1
SCHEMBL33591 0.65 BACE1 (0.38) —
SCHEMBL13185938 0.58 ADORA3 (0.35) KDM4E
SCHEMBL1396303 0.57 KDM4E (0.44) KDM4EALOX15L3MBTL1

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
EP-1036815-A1 FLAME RETARDANT FOR STYRENE RESINS AND FLAME-RETARDANT STYRENE RESIN COMPOSITION CHISSO CORPORATION (JP) 2000-09-20 — — EP disclosed
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