SCHEMBL6132573

SCHEMBL6132573

COCCCCCCSC1CCN(c2ccc(-c3nn4cc(-c5ccc(C(=O)O)cc5)nc4s3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
F2RL3 Q96RI0 1/20 0.37
CHEK1 O14757 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL6132444 0.88 MAPT (0.40) MAPTTP53LMNACA12CA1
SCHEMBL6132169 0.88 MAPT (0.43) MAPTTP53LMNACA12CA1
Hydrochloric Acid SCHEMBL6135061 0.87 MAPT (0.44) MAPTTP53LMNACA12CA1
SCHEMBL6135097 0.86 MAPT (0.45) MAPTTP53LMNACA12CA1
SCHEMBL6132698 0.84 HDAC3 (0.38) MAPTTP53LMNACA12CA1
Hydrochloric Acid SCHEMBL6133899 0.84 CHEK1 (0.42) MAPTTP53LMNACA12CA1
Hydrochloric Acid SCHEMBL6134789 0.84 CHEK1 (0.42) MAPTTP53LMNACA12CA1
SCHEMBL6132901 0.81 USP2 (0.50) MAPTLMNACHEK1USP2
SCHEMBL6133896 0.80 TP53 (0.42) MAPTTP53CA12CA1CA2
SCHEMBL6134575 0.80 TP53 (0.43) MAPTTP53CA12CA1CA2

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