SCHEMBL8466917

SCHEMBL8466917

COc1nc(Cl)nc2c1ncn2CCCCCOC(=O)N[C@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC8 Q9BY41 8/20 0.36
HDAC3 O15379 6/20 0.36
HDAC4 P56524 6/20 0.36
HDAC7 Q8WUI4 6/20 0.36
HDAC10 Q969S8 6/20 0.36
HDAC11 Q96DB2 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC9 Q9UKV0 6/20 0.36
HDAC5 Q9UQL6 6/20 0.36
P2RY1 P47900 2/20 0.36
YTHDC1 Q96MU7 6/20 0.34

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
SCHEMBL8467319 0.91 HDAC1 (0.37) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL8467135 0.88 TAAR1 (0.42) P2RY1
SCHEMBL8464251 0.83 ADCY5 (0.36) HDAC6
SCHEMBL8466905 0.83 ADCY5 (0.36) HDAC6
SCHEMBL8467074 0.81 P2RY1 (0.43) HDAC1HDAC2P2RY1YTHDC1
SCHEMBL8464285 0.81 P2RY1 (0.43) HDAC1HDAC2P2RY1YTHDC1
SCHEMBL8466600 0.81 ADCY5 (0.47)
SCHEMBL8465859 0.81 ADCY5 (0.47)
SCHEMBL8466911 0.81 ADCY5 (0.37) HDAC1HDAC2P2RY1
SCHEMBL8467662 0.80 ADCY5 (0.36) HDAC1HDAC2P2RY1

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