SCHEMBL9877862

SCHEMBL9877862

CN(O)C(=O)c1cccc(NCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
FFAR1 O14842 2/20 0.51
ROCK2 O75116 1/20 0.51
GRK2 P25098 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
PPARA Q07869 1/20 0.48

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
SCHEMBL9877236 0.84 CA1 (0.63) FFAR1MEN1KMT2AHIF1A
SCHEMBL2185809 0.82 FFAR1 (0.70) HDAC8HDAC6FFAR1KMT2AHIF1A
SCHEMBL27845742 0.79 HDAC8 (0.58) HDAC8HDAC11HDAC6FFAR1MEN1
SCHEMBL9877319 0.78 KCNK3 (0.67) MEN1KMT2A
SCHEMBL15458722 0.77 HIF1A (0.67) HDAC8HDAC6FFAR1KMT2AHIF1A
SCHEMBL15576275 0.77 HDAC8 (0.59) HDAC8HDAC11HDAC6FFAR1KMT2A
SCHEMBL10055040 0.77 FFAR1 (0.68) FFAR1HIF1AMRGPRX4PPARA
SCHEMBL10411601 0.77 FFAR1 (0.50) HDAC8HDAC6FFAR1HIF1A
SCHEMBL6846999 0.77 HDAC8 (0.55) HDAC8HDAC11HDAC6FFAR1KMT2A
SCHEMBL10106419 0.76 MAPT (0.65) HDAC8HDAC11MEN1KMT2AHIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed