SCHEMBL7976890

SCHEMBL7976890

[c]1nccc(OCC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KDM1A O60341 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CNR2 P34972 1/20 0.32
RIPK1 Q13546 1/20 0.32
EP300 Q09472 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
SCHEMBL6965549 0.73
SCHEMBL12477815 0.71 RIPK1 (0.38) PARP15PARP10PARP2KDM1ACNR2
SCHEMBL28197476 0.70 LRRK2 (0.36) LRRK2CCNA2CDK2CCNA1PARP15
SCHEMBL559215 0.69
SCHEMBL19510667 0.69 LRRK2 (0.43) LRRK2CCNA2CDK2CCNA1FFAR4
SCHEMBL558313 0.69 LOX (0.41) LRRK2
SCHEMBL7701584 0.69 L3MBTL1 (0.39)
SCHEMBL365267 0.68 GPR39 (0.43) KDM1ACNR2RIPK1
SCHEMBL31192198 0.68 GPR39 (0.43) KDM1ACNR2RIPK1
SCHEMBL22834474 0.68 NUDT1 (0.53) LRRK2CCNA2CDK2CCNA1FFAR4

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-6214825-B1 FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US claimed