SCHEMBL5773620

SCHEMBL5773620

NC(=O)c1ccc2c(c1)CCN2Cc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.61
HDAC6 Q9UBN7 11/20 0.61
HDAC8 Q9BY41 9/20 0.61
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC10 Q969S8 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALOX5 P09917 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP17A1 P05093 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL15612755 0.89 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL30376267 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL28247407 0.87 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15612995 0.86 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL16558080 0.85 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15612925 0.81 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL16494382 0.80 ALOX5 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15528574 0.80 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15529339 0.79 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15610731 0.78 HDAC1 (0.59) HDAC1HDAC6HDAC8HDAC3HDAC4

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
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed