SCHEMBL8664607

SCHEMBL8664607

N=C(N)NCCC[C@H](C(=O)O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
HAT1 O14929 5/20 0.41
EP300 Q09472 5/20 0.41

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
SCHEMBL8639071 0.94 HDAC1 (0.43) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL8526200 0.82 HDAC1 (0.35) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL8587074 0.80 HDAC1 (0.39) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL8526123 0.79 KMT2A (0.41) MEN1KMT2A
SCHEMBL8526313 0.78 TMEM97 (0.41) HDAC1HDAC6
SCHEMBL9195260 0.78 F7 (0.50) HDAC1HDAC6CFTRF7
SCHEMBL8639063 0.77 PADI4 (0.65) PADI4PADI2
SCHEMBL11125233 0.76 KMT2A (0.40) POLBMEN1KMT2A
SCHEMBL8526191 0.74 F7 (0.42) HDAC1HDAC6F7
SCHEMBL7059809 0.73 NPY1R (0.42) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923589-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-06-23 EP disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1998006727-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-02-19 WO disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed