SCHEMBL6514033

SCHEMBL6514033

CC(CCCC(=O)O)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PIN1 Q13526 1/20 0.38
TBXAS1 P24557 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CAPN1 P07384 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL11801461 0.80 CYP1A2 (0.41) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL9657546 0.78 KDM4E (0.45) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL12386860 0.76 KDM4E (0.47) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL19039501 0.76 KDM4E (0.47) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL1716157 0.75 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALDH1A1SMN1; SMN2TBXAS1
SCHEMBL9079348 0.74 TBXAS1 (0.43) CYSLTR2CYSLTR1FFAR4ALDH1A1TBXAS1
SCHEMBL16320999 0.74 SMN1; SMN2 (0.53) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL29735759 0.74 SMN1; SMN2 (0.53) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL17773805 0.73 MAPT (0.53) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL17243765 0.72 KDM4E (0.54) KDM4EKDM6BKDM4AKDM5CKDM4C

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-6908769-B2 Dye pair for fluorescence resonance energy transfer (FRET) measurements ROCHE DIAGNOSTICS GMBH (DE) 2005-06-21 US disclosed