SCHEMBL8466905

SCHEMBL8466905

N=C(N)NCCC[C@H](NC(=O)OCCCCCn1cnc2c(Cl)ncnc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 4/20 0.36
FGFR1 P11362 8/20 0.35
FGFR4 P22455 8/20 0.35
FDPS P14324 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
P2RX7 Q99572 2/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ADCY1 Q08828 1/20 0.32

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
SCHEMBL8464251 1.00 ADCY5 (0.36) ADCY5FGFR1FGFR4FDPSHDAC6
SCHEMBL8465859 0.91 ADCY5 (0.47) ADCY5FGFR1ADCY1
SCHEMBL8466911 0.91 ADCY5 (0.37) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8466600 0.91 ADCY5 (0.47) ADCY5FGFR1ADCY1
SCHEMBL8467662 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8467714 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8465925 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8467074 0.89 P2RY1 (0.43) ADCY5
SCHEMBL8464285 0.89 P2RY1 (0.43) ADCY5
SCHEMBL8467319 0.89 HDAC1 (0.37) HDAC6P2RX7

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-5994361-A ANTITUMOR, ANTICANCER AGENT BIOCHEM PHARMA (CA) 1999-11-30 US claimed