SCHEMBL8778036

SCHEMBL8778036

CNC(=O)N(O)c1ccc2c(c1)CCN2Cc1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.46
PTGER2 P43116 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KEAP1 Q14145 1/20 0.42
PKM P14618 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
TNIK Q9UKE5 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL9207495 0.94 HDAC1 (0.50) PTGER4PTGER2HDAC1HDAC6PKM
SCHEMBL27424435 0.87 TNF (0.47)
SCHEMBL27363198 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9029844 0.80 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9207489 0.79 HDAC1 (0.55) PTGER4PTGER2HDAC1HDAC6HDAC3
SCHEMBL5082657 0.77 PTGER4 (0.48) PTGER4PTGER2HDAC1HDAC6KEAP1
SCHEMBL9535250 0.77 HDAC1 (0.49) PTGER4PTGER2HDAC1HDAC6HDAC3
SCHEMBL4728356 0.76 MAPT (0.51) PTGER4PTGER2HDAC1HDAC6PKM
SCHEMBL8777876 0.76 ALOX5 (0.51) PTGER4PTGER2HDAC1HDAC6KEAP1
SCHEMBL27447114 0.76 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7

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-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP claimed