SCHEMBL30249175

SCHEMBL30249175

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC7 Q8WUI4 7/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ABCC9 O60706 2/20 0.48
ABCC8 Q09428 2/20 0.48
KCNJ11 Q14654 2/20 0.48
KCNJ8 Q15842 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL26624042 0.86 CA1 (0.56) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL30249298 0.86 HDAC1 (0.70) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL26624049 0.82 ABCC9 (0.57) HDAC1HDAC7HDAC8HDAC6ABCC9
SCHEMBL9610845 0.81 HDAC1 (0.51) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL13860784 0.80 ALDH1A1 (0.52) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5549558 0.77 CA12 (0.59) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL29054792 0.76 ALDH1A1 (0.55) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL20216834 0.75 MEN1 (0.54) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL9243776 0.73 PDK1 (0.67) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL8846991 0.73 HDAC1 (0.72) HDAC1HDAC7HDAC8HDAC6HDAC3

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
WO-2023053877-A1 PHOTOACID GENERATOR, RESIST COMPOSITION, AND METHOD FOR PRODUCING DEVICE USING SAID RESIST COMPOSITION 東洋合成工業株式会社 2023-04-06 WO disclosed