SCHEMBL28550388

SCHEMBL28550388

CN(c1ccc(Oc2ccc(C(=O)O)nc2)cc1)c1ncnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.58
HDAC8 Q9BY41 7/20 0.58
HDAC6 Q9UBN7 7/20 0.58
EGFR P00533 5/20 0.57
CSF1R P07333 6/20 0.49
PDGFRB P09619 3/20 0.42
KDR P35968 2/20 0.42
PDGFRA P16234 1/20 0.41

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
SCHEMBL18087970 0.89 HDAC1 (0.59) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL18088117 0.89 HDAC1 (0.63) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL28550365 0.86 EGFR (0.63) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL24653552 0.83 EGFR (0.60) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL18087976 0.82 HDAC1 (0.60) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL24653593 0.82 EGFR (0.62) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL18088127 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL18088020 0.80 HDAC1 (0.63) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL24653591 0.80 EGFR (0.67) HDAC1HDAC8HDAC6EGFRCSF1R
SCHEMBL18088095 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC6EGFRCSF1R

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
CN-107428705-B Histone deacetylase inhibitor and preparation method and application thereof 广东众生药业股份有限公司 2021-03-16 CN disclosed