SCHEMBL28738783

SCHEMBL28738783

NC(=O)c1cnc(CCCCCCC(=O)NO)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.46
▸ HDAC2 Q92769 10/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ HDAC8 Q9BY41 14/20 0.46
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC3 O15379 8/20 0.46
▸ HDAC5 Q9UQL6 8/20 0.46
▸ HDAC4 P56524 7/20 0.44
▸ HDAC7 Q8WUI4 7/20 0.44
▸ HDAC10 Q969S8 7/20 0.44
▸ HDAC11 Q96DB2 7/20 0.44
▸ HDAC9 Q9UKV0 7/20 0.44

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
SCHEMBL7092189 0.76 EPHX2 (0.44) HDAC6
SCHEMBL22401242 0.70 NNMT (0.42) —
SCHEMBL2813818 0.68 HDAC1 (0.79) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL2810504 0.68 HDAC1 (0.79) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL29055202 0.68 HDAC1 (0.79) HDAC1HDAC2ALOX5HDAC8HDAC6
Suberohydroxamic Acid SCHEMBL2159033 0.67 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL11769965 0.67 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL10439098 0.67 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
Azelaic Bis Hydroxamic Acid SCHEMBL4741072 0.67 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL11767258 0.67 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6

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-114380751-A Indane amine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2022-04-22 — — CN disclosed
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