SCHEMBL17424310

SCHEMBL17424310

CCc1ccc(NC(=O)C(CCCCN)NC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.51
▸ KLKB1 P03952 1/20 0.47
▸ PDF Q9HBH1 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ SRC P12931 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41

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
SCHEMBL24774255 0.86 LTA4H (0.49) SPHK1KLKB1PDFLTA4HHDAC2
SCHEMBL27291531 0.86 FURIN (0.49) SPHK1KLKB1PDFCRHBPCRHR2
SCHEMBL24086378 0.84 SPHK1 (0.49) SPHK1CRHBPCRHR2HDAC3HDAC4
SCHEMBL19234733 0.83 LTA4H (0.60) SPHK1CRHBPCRHR2LTA4HSPHK2
SCHEMBL27291530 0.82 FURIN (0.51) KLKB1PDFSSTR3
SCHEMBL17090699 0.81 KLKB1 (0.46) SPHK1KLKB1PDFCRHBPCRHR2
SCHEMBL27291534 0.77 FURIN (0.48) KLKB1PDFPLGSSTR3CA1
SCHEMBL19445708 0.76 KLKB1 (0.39) SPHK1KLKB1PDFLTA4HPLG
SCHEMBL21527195 0.76 CA1 (0.54) SPHK1PDFSPHK2CA1CA2
SCHEMBL12264542 0.76 SIRT6 (0.43) CA1CA2

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
US-9233172-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2016-01-12 — — US disclosed
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