SCHEMBL4754841

SCHEMBL4754841

CCCCCn1nc(C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 6/20 0.47
CNR2 P34972 6/20 0.47
HCAR3 P49019 2/20 0.45
LMNA P02545 2/20 0.44
SMPD1 P17405 1/20 0.41
MAPT P10636 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40

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
SCHEMBL3614239 0.95 KDM4E (0.51) KDM4ECNR1CNR2HCAR3LMNA
SCHEMBL5250642 0.88 LMNA (0.47) KDM4EHCAR3LMNAMAPTGRN
SCHEMBL23115836 0.85 KDM4E (0.51) KDM4ELMNAMAPTGABRPGABRD
SCHEMBL29834872 0.83 SMN1; SMN2 (0.44) KDM4ECNR1CNR2MAPTPOLB
SCHEMBL30970919 0.81 GAA (0.49) KDM4ELMNAMAPTGABRPGABRD
SCHEMBL710008 0.81 MAPT (0.56) KDM4ELMNAMAPTGRNSORT1
SCHEMBL27682187 0.81 KDM4E (0.46) KDM4ECNR1CNR2LMNAMAPT
SCHEMBL21766174 0.80 KDM4E (0.47) KDM4ELMNAMAPTGABRPGABRD
SCHEMBL28820586 0.80 CNR1 (0.71) KDM4ECNR1CNR2HCAR3GRN
SCHEMBL19436521 0.80 KDM4E (0.47) KDM4ELMNAMAPTGABRPGABRD

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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed