SCHEMBL9014630

SCHEMBL9014630

Nc1ncc2ncn(-n3cnc4cncnc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP2C9 P11712 6/20 0.33
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 6/20 0.33
CYP2C19 P33261 4/20 0.33
HDAC1 Q13547 1/20 0.32
EGFR P00533 2/20 0.32
LTA4H P09960 1/20 0.32
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL2120550 0.84 FDPS (0.45) FDPSHDAC6ALDH1A1HSD17B10CYP2C9
SCHEMBL28340215 0.82 FDPS (0.44) FDPSHDAC6ALDH1A1HSD17B10CYP2C9
SCHEMBL6036330 0.81 CDK1 (0.44) FDPSHSP90AA1HSP90AB1EGFR
SCHEMBL3506547 0.80 ADORA2A (0.46) EGFR
SCHEMBL852593 0.79 HSP90AB1 (0.41) HDAC6HSP90AA1HSP90AB1HDAC1
SCHEMBL851861 0.79 FDPS (0.32) FDPS
SCHEMBL27558464 0.78 FDPS (0.37) FDPSHDAC6ALDH1A1HSD17B10CYP2C9
SCHEMBL27035498 0.77 HDAC6 (0.35) FDPSHDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL6434260 0.75 FDPS (0.35) FDPSHDAC6ALDH1A1HSD17B10HPGD
SCHEMBL28480707 0.75 CDK1 (0.47) HDAC6ALDH1A1HSD17B10KDM4EHPGD

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-5561225-A Polynucleotide analogs containing sulfonate and sulfonamide internucleoside linkages SOUTHERN RESEARCH INSTITUTE (US) 1996-10-01 US disclosed