SCHEMBL3707241

SCHEMBL3707241

Cc1cc(C#N)cc2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
XDH P47989 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
RIPK1 Q13546 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PRKCQ Q04759 1/20 0.37
BRD4 O60885 2/20 0.37
TAF1 P21675 1/20 0.37
BRPF1 P55201 1/20 0.37
CREBBP Q92793 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
CFB P00751 8/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL7893431 0.80 BRD4 (0.36) IMPDH2IMPDH1XDHSLC22A12PRKCQ
SCHEMBL8530077 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL16636645 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL988243 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL28597933 0.76 XDH (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL21920740 0.75 IMPDH2 (0.44) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL18876107 0.74 L3MBTL1 (0.38) IMPDH2IMPDH1IKBKBCHUKBRD4
SCHEMBL4798726 0.74 CYP1A2 (0.40) IKBKBCHUKBRD4TAF1BRPF1
SCHEMBL18876117 0.73 KDM4E (0.37) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL12585067 0.73 XDH (0.64) IMPDH2IMPDH1XDHSLC22A12IKBKB

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
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
US-5523312-A ADMINISTERING TO MAMMALS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
US-5514692-A VIRICIDES STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1996009822-A1 ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP, INC. (US) 1996-04-04 WO disclosed