SCHEMBL6132659

SCHEMBL6132659

CCc1cc(-c2cn3nc(-c4ccc(N5CCCCC5OCCCOC)cc4)sc3n2)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
TP53 P04637 5/20 0.38
LMNA P02545 3/20 0.38
RXFP1 Q9HBX9 1/20 0.35
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL6132854 0.99 MAPT (0.39) MAPTTP53LMNARXFP1CA12
SCHEMBL6132778 0.88 MAPT (0.42) MAPTTP53LMNACA12CA1
SCHEMBL6132920 0.88 MAPT (0.42) MAPTTP53LMNARXFP1CA12
SCHEMBL6132851 0.84 MAPT (0.42) MAPTTP53LMNARXFP1CA12
SCHEMBL6132654 0.84 MAPT (0.42) MAPTTP53LMNARXFP1CA12
SCHEMBL6132995 0.76 HDAC3 (0.39) MAPTTP53LMNARXFP1CA12
SCHEMBL6132446 0.76 HDAC3 (0.39) MAPTTP53LMNARXFP1CA12
SCHEMBL6132652 0.74 MAPT (0.40) MAPTTP53LMNATHRBGAA
SCHEMBL6132850 0.73 MAPT (0.38) MAPTTP53LMNACA12CA1
SCHEMBL6132169 0.73 MAPT (0.43) MAPTTP53LMNACA12CA1

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed