SCHEMBL9361891

SCHEMBL9361891

O=C(CCCC(F)(F)Cl)Nc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.63
▸ HDAC4 P56524 2/20 0.63
▸ HDAC1 Q13547 2/20 0.63
▸ HDAC7 Q8WUI4 2/20 0.63
▸ HDAC2 Q92769 2/20 0.63
▸ HDAC10 Q969S8 2/20 0.63
▸ HDAC11 Q96DB2 2/20 0.63
▸ HDAC8 Q9BY41 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.63
▸ HDAC9 Q9UKV0 2/20 0.63
▸ HDAC5 Q9UQL6 2/20 0.63
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ FAAH O00519 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL15480449 0.82 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10793454 0.81 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7363594 0.81 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19176792 0.80 LMNA (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25154931 0.79 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10788231 0.79 LMNA (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1520172 0.79 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28253513 0.79 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8277953 0.77 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6879629 0.77 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0413666-B1 Butyric acid derivatives CIBA GEIGY AG (CH) 1994-04-13 — — EP claimed
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