SCHEMBL22086952

SCHEMBL22086952

CSN1C(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc2C12c1ccc(N(C)C)cc1C(C)(C)c1cc(N(C)C)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HDAC1 Q13547 7/20 0.32
▸ HDAC2 Q92769 7/20 0.32
▸ HDAC8 Q9BY41 7/20 0.32
▸ HDAC6 Q9UBN7 7/20 0.32
▸ HDAC10 Q969S8 6/20 0.32
▸ HDAC3 O15379 5/20 0.32
▸ HDAC4 P56524 5/20 0.32
▸ HDAC9 Q9UKV0 5/20 0.32
▸ HDAC7 Q8WUI4 4/20 0.32
▸ HDAC11 Q96DB2 4/20 0.32
▸ HDAC5 Q9UQL6 4/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 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
SCHEMBL22085070 0.93 KMT2A (0.33) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL22085064 0.90 OPRM1 (0.34) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL24755025 0.87 OPRM1 (0.32) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL22086953 0.87 KCNH2 (0.36) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL22085066 0.87 KCNH2 (0.33) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL22085068 0.87 KCNH2 (0.33) KMT2APOLBHRH3HDAC1HDAC2
SCHEMBL24754926 0.78 KCNH2 (0.37) KMT2APOLBHRH3OPRM1NAMPT
SCHEMBL24754700 0.78 HRH3 (0.32) HRH3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22086468 0.77 KCNH2 (0.34) HRH3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22085063 0.77 CA2 (0.34) HRH3HDAC1HDAC2HDAC8HDAC6

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-2020115286-A2 CELL-PERMEABLE FLUOROGENIC FLUOROPHORES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2020-06-11 — — WO disclosed
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