SCHEMBL3394274

SCHEMBL3394274

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccccc3O)[nH]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
ALOX15 P16050 7/20 0.38
RAB9A P51151 6/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
NPC1 O15118 6/20 0.35
LMNA P02545 3/20 0.35
ALOX12 P18054 3/20 0.35
NR2F2 P24468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL3396008 0.87 TNIK (0.43) KCNH2EGLN2S1PR1
SCHEMBL3427227 0.86 KCNH2 (0.42) KCNH2EGLN2
SCHEMBL3392062 0.86 KCNH2 (0.54) KCNH2EGLN2
SCHEMBL3432960 0.85 KCNH2 (0.43) KCNH2EGLN2
SCHEMBL3395956 0.85 MAPT (0.41) KCNH2RAB9ASMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL3432843 0.84 KCNH2 (0.42) KCNH2EGLN2
SCHEMBL3434735 0.83 KCNH2 (0.40) KCNH2EGLN2
SCHEMBL3434686 0.83 KCNH2 (0.44) KCNH2ALOX15MAPK1
SCHEMBL3426389 0.83 KCNH2 (0.43) KCNH2ALOX15RAB9AMEN1KMT2A
SCHEMBL3397167 0.82 KCNH2 (0.42) KCNH2MEN1KMT2AEGLN2S1PR1

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed