SCHEMBL21729384

SCHEMBL21729384

O=C(NO)C1/C=C/CCC/C=C/C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC4 P56524 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16113146 0.77
SCHEMBL13958914 0.64 RAB9A (0.31) MEN1ALDH1A1KMT2A
SCHEMBL6599897 0.64
SCHEMBL5378661 0.64
SCHEMBL5395510 0.64
SCHEMBL11015747 0.63 POLB (0.34) MEN1KMT2A
SCHEMBL6966349 0.63
SCHEMBL6966342 0.63
SCHEMBL2988371 0.63
SCHEMBL28932232 0.63 PARP10 (0.35) MEN1KMT2A

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-3472131-B1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-19 EP disclosed