SCHEMBL11084759

SCHEMBL11084759

O=C(O)c1cnc(NCCc2ccccc2)nc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 7/20 0.58
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 4/20 0.53
ASPH Q12797 4/20 0.53
KDM8 Q8N371 4/20 0.53
RIOX2 Q8IUF8 3/20 0.53
KDM6B O15054 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
ATM Q13315 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CASR P41180 1/20 0.45
CSNK2A1 P68400 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL11087833 0.92 ASPH (0.55) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358455 0.88 STAT6 (0.49) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358316 0.88 HDAC3 (0.56) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL10493046 0.87 ATM (0.59) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358457 0.86 PRKCQ (0.47) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL32671629 0.85 RAB9A (0.58) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL11086596 0.84 RAB9A (0.64) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL3443239 0.84 HDAC3 (0.53) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358312 0.83 HDAC3 (0.58) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358320 0.82 STAT6 (0.54) STAT6HDAC3HDAC1HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447422-A Penicillins and compositions containing them BEECHAM GROUP P.1.C. (GB) 1984-05-08 US disclosed
EP-0067610-A1 Penicillins, a process for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed