SCHEMBL8723581

SCHEMBL8723581

N=C(N)NCCc1ccc(Nc2cc[c]cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.38
CNR1 P21554 6/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
HPGD P15428 1/20 0.35
CA9 Q16790 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
MT-CO2 P00403 1/20 0.33
KDM4E B2RXH2 2/20 0.33
F13A1 P00488 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6682075 0.87 ST14 (0.45) ST14LMNAGAAKMT2AIDO1
SCHEMBL8721646 0.84 PIM1 (0.35) ST14ALDH1A1MAPTMEN1GAA
SCHEMBL8723577 0.81 LMNA (0.39) ST14ALDH1A1MAPTLMNAMEN1
SCHEMBL26005420 0.77 ST14 (0.46) ST14ALDH1A1MAPTLMNAGAA
SCHEMBL12401907 0.76 ST14 (0.51) ST14LMNAMEN1GAAKMT2A
SCHEMBL8721602 0.74 MAPT (0.41) ST14ALDH1A1MAPTMEN1GAA
SCHEMBL6682640 0.74 ST14 (0.50) ST14LMNAGAAKMT2AIDO1
SCHEMBL1286912 0.74 KDM4E (0.56) ST14ALDH1A1MAPTGAAKMT2A
SCHEMBL6679010 0.74 ST14 (0.50) ST14ALDH1A1IDO1CA1CA2
SCHEMBL23135379 0.74 ADRA2A (0.45) ST14ALDH1A1MAPTLMNAGAA

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
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed