SCHEMBL4344306

SCHEMBL4344306

O=C1C=CC(=O)N1c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
P4HTM Q9NXG6 1/20 0.37
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MAOB P27338 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
SORD Q00796 1/20 0.33
CCR9 P51686 1/20 0.32
CCNA2 P20248 1/20 0.32

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
SCHEMBL29743114 0.77 RECQL (0.39) P4HTMKDM4EALDH1A1HSP90AA1NAPRT
SCHEMBL5616510 0.72 HTT (0.56) P4HTMKDM4EALDH1A1MAOBTSHR
SCHEMBL8470425 0.72 P4HTM (0.37) P4HTMKDM4EALDH1A1EGLN2SORD
SCHEMBL718706 0.70 SMN1; SMN2 (0.62) BCHEMGLLKDM4EALDH1A1TLR9
SCHEMBL29760726 0.68 SMN1; SMN2 (0.60) BCHEMGLLKDM4EALDH1A1TLR9
SCHEMBL1713643 0.67 MAOB (0.38) P4HTMKDM4EALDH1A1HSP90AA1MAOB
SCHEMBL5000576 0.67 HSP90AA1 (0.40) P4HTMKDM4EHSP90AA1NAPRTHCAR2
SCHEMBL20062935 0.67 L3MBTL1 (0.46) P4HTMKDM4EALDH1A1HSP90AA1SORD
SCHEMBL9418762 0.67 BCHE (0.55) BCHEMGLLFAAHALDH1A1HSP90AA1
SCHEMBL7490482 0.65 KDM4E (0.49) KDM4EALDH1A1SORD

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
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed