SCHEMBL6132860

SCHEMBL6132860

COCCCCOc1ccc(-c2nnc(NOC(=O)C(F)(F)F)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
HDAC1 Q13547 8/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC6 Q9UBN7 3/20 0.45
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
DDX3X O00571 2/20 0.42
LMNA P02545 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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 SCHEMBL6132856 0.78 RAB9A (0.62) XIAPHDAC1HDAC2HDAC6RAB9A
SCHEMBL7319177 0.75 MAPT (0.56) XIAPHDAC1HDAC2HDAC6RAB9A
SCHEMBL7324575 0.75 MAPT (0.56) XIAPHDAC1HDAC2HDAC6RAB9A
SCHEMBL7397503 0.75 MAPT (0.56) XIAPHDAC1HDAC2HDAC6RAB9A
SCHEMBL7317106 0.73 NR1H4 (0.65) HDAC1HDAC2HDAC6CSNK2A2CSNK2A1
SCHEMBL7341006 0.73 NR1H4 (0.65) HDAC1HDAC2HDAC6CSNK2A2CSNK2A1
SCHEMBL7316607 0.73 NR1H4 (0.65) HDAC1HDAC2HDAC6CSNK2A2CSNK2A1
SCHEMBL7316179 0.73 NR1H4 (0.65) HDAC1HDAC2HDAC6CSNK2A2CSNK2A1
SCHEMBL678081 0.70 NR1H4 (0.55) XIAPHDAC1HDAC2HDAC6RAB9A
SCHEMBL19538772 0.70 SMN1; SMN2 (0.55) XIAPHDAC1HDAC2HDAC6RAB9A

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 3 patents. 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
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed