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SCHEMBL13699273

SCHEMBL13699273

N=C(N)c1ccc(C(=O)NCCCCCNC(=O)c2cccc(S(=O)(=O)NCCCCCNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.56
▸ TMPRSS6 Q8IU80 7/20 0.56
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NAMPT P43490 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ TP53BP1 Q12888 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13699124 0.89 CA2 (0.52) F2TMPRSS6LMNARAB9ANAMPT
SCHEMBL13699182 0.86 LMNA (0.48) F2TMPRSS6LMNARAB9ANAMPT
SCHEMBL13699125 0.77 RAB9A (0.51) LMNARAB9ANAMPTPOLB
SCHEMBL13699130 0.76 CA2 (0.66) HDAC3HDAC1
SCHEMBL13699232 0.73 CA2 (0.52) NAMPTTP53BP1HDAC3HDAC1
SCHEMBL5541960 0.72 SMN1; SMN2 (0.61) LMNAHDAC3HDAC1
SCHEMBL14599618 0.72 MAPK1 (0.61) F2TMPRSS6RAB9AALDH1A1
SCHEMBL14599527 0.72 MAPK1 (0.61) F2TMPRSS6RAB9AALDH1A1
SCHEMBL14599582 0.72 MAPK1 (0.61) F2TMPRSS6RAB9AALDH1A1
SCHEMBL14599581 0.72 MAPK1 (0.61) F2TMPRSS6RAB9AALDH1A1

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-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 — — WO disclosed