SCHEMBL20730664

SCHEMBL20730664

N#Cc1c(F)cc(-c2c(F)cc(OC(=O)CCCCCCCC(=O)Oc3cc(F)c(-c4cc(F)c(C#N)c(F)c4)c(F)c3)cc2F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ AKR1B1 P15121 2/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.33
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL18118875 0.84 KMT2A (0.39) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL16848641 0.83 KMT2A (0.40) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL16748095 0.83 KMT2A (0.40) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL16748083 0.83 KMT2A (0.40) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL18118870 0.82 HDAC1 (0.40) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL18118882 0.81 RARB (0.39) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL20257119 0.80 CYP4F2 (0.39) PDE4APDE4BPDE4CKMT2AAKR1B1
SCHEMBL17971137 0.78 HDAC1 (0.44) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL21676960 0.77 KMT2A (0.37) KMT2AALDH1A1HSD17B10HDAC1HDAC2
SCHEMBL22383792 0.77 KMT2A (0.37) KMT2AALDH1A1HSD17B10HDAC1HDAC2

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-2019030150-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2019-02-14 — — WO disclosed
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