SCHEMBL8919141

SCHEMBL8919141

FCCNC1NCCNC1c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MDM2 Q00987 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8917889 0.86 CTH (0.34) CTHDDB1CRBNMAPTKDM4E
SCHEMBL8916129 0.83 MDM2 (0.34) CTHDDB1CRBNMAPTKDM4E
SCHEMBL8916653 0.80 SLC2A1 (0.36) CTHDDB1CRBNMAPTKDM4E
SCHEMBL8917578 0.78 ALDH1A1 (0.42) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL8917001 0.75 KDM4E (0.33) CTHDDB1CRBNMAPTKDM4E
SCHEMBL8916767 0.74 KDM5A (0.34) CTHDDB1CRBNMAPTKDM4E
SCHEMBL8918459 0.72 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1MDM2POLB
SCHEMBL27793415 0.69 NISCH (0.40) DDB1CRBNMAPTKDM4EKMT2A
SCHEMBL27793412 0.69 DDB1 (0.37) CTHDDB1CRBNMAPTKDM4E
SCHEMBL29743006 0.68 DDB1 (0.40) CTHDDB1CRBNMAPTKDM4E

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-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed