SCHEMBL13771465

SCHEMBL13771465

NCCCCC[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 3/20 0.56
▸ FOLH1 Q04609 2/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ EPHX1 P07099 1/20 0.47
▸ CPA3 P15088 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PLAU P00749 2/20 0.46
▸ PLAUR Q03405 2/20 0.46
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ CPA1 P15085 1/20 0.45

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
SCHEMBL4023050 0.89 FOLH1 (0.66) CPB2FOLH1MMP2CYP1A2CPA3
SCHEMBL4016996 0.89 FOLH1 (0.66) CPB2FOLH1MMP2CYP1A2CPA3
SCHEMBL4017000 0.89 FOLH1 (0.66) CPB2FOLH1MMP2CYP1A2CPA3
SCHEMBL3044591 0.86 CYP1A2 (0.57) CPB2FOLH1MMP2CYP1A2EPHX1
SCHEMBL7789683 0.86 CSNK1E (0.57) FOLH1MMP2
SCHEMBL28081007 0.86 CSNK1E (0.57) FOLH1MMP2
SCHEMBL22558568 0.86 CSNK1E (0.57) FOLH1MMP2
SCHEMBL28058533 0.86 CSNK1E (0.57) FOLH1MMP2
SCHEMBL9211958 0.85 FOLH1 (0.53) CPB2FOLH1CYP1A2EPHX1CPA3
SCHEMBL2187591 0.84 CSNK1E (0.55) FOLH1MMP2CYP1A2

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-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 — — WO disclosed
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