SCHEMBL4759528

SCHEMBL4759528

CC(CNCc1ccccc1NC(=N)N)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34
METAP2 P50579 2/20 0.33

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
SCHEMBL4705836 0.84 KMT2A (0.50) KMT2ATAS1R3TAS1R1MEN1TDP1
SCHEMBL4708268 0.80 KDM4E (0.38) KMT2AKDM4EPKMF9F10
SCHEMBL4708241 0.79 KDM4E (0.38) KMT2ATAS1R3TAS1R1MEN1TDP1
SCHEMBL4708837 0.78 KMT2A (0.44) KMT2AL3MBTL1KDM4ETP53ALDH1A1
SCHEMBL4708554 0.78 L3MBTL1 (0.42) KMT2ATAS1R3TAS1R1MEN1L3MBTL1
SCHEMBL4708567 0.77 KDM4E (0.46) KMT2AMEN1TDP1KDM4EPKM
SCHEMBL23023207 0.77 METAP2 (0.34) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL4708749 0.77 KMT2A (0.44) KMT2AL3MBTL1KDM4ETP53ALDH1A1
SCHEMBL4706421 0.76 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL4708422 0.76 RAB9A (0.50) KMT2AMEN1L3MBTL1KDM4EPKM

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-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed