SCHEMBL11792553

SCHEMBL11792553

O=C(NO)c1cnc(C(=O)NO)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.48
▸ HDAC1 Q13547 12/20 0.48
▸ HDAC8 Q9BY41 8/20 0.42
▸ HDAC3 O15379 5/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL2216041 0.87 NPC1 (0.56) HDAC6HDAC1ALDH1A1NPC1RAB9A
SCHEMBL11666718 0.79 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1412848 0.79 KDM4E (0.59) HDAC6HDAC1HDAC8HDAC3NPC1
SCHEMBL17072356 0.76 HDAC3 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL31377918 0.76 P2RX7 (0.52) ALDH1A1GAAKDM4ESIRT6POLB
SCHEMBL26697541 0.75 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL22270446 0.75 HDAC1 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7278412 0.74 P4HTM (0.68) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL18530692 0.73 SMN1; SMN2 (0.68) HDAC8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18530688 0.73 SMN1; SMN2 (0.68) HDAC8ALDH1A1NPC1RAB9ASMN1; SMN2

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
US-3954718-A Process for preparing polymers containing carbamoyl-hydroxamate groups and the resultant polymers STANFORD RESEARCH INSTITUTE (US) 1976-05-04 — — US disclosed
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