SCHEMBL28707263

SCHEMBL28707263

COC(=O)c1cc(-n2cc3cc(NC(C)=O)ccc3n2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PABPC1 P11940 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 2/20 0.39
AR P10275 1/20 0.39
GLA P06280 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL29479815 1.00 KDM4E (0.40) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL23012803 0.89 KDM4E (0.41) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL29479623 0.89 KDM4E (0.41) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL29479808 0.87 ACSS2 (0.40) PTGESARNOTUMADORA3
SCHEMBL23012622 0.87 ACSS2 (0.40) PTGESARNOTUMADORA3
SCHEMBL29479598 0.83 ALDH1A1 (0.36) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28714598 0.83 ALDH1A1 (0.36) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24572942 0.82 ALDH1A1 (0.42) KDM4EMAPTKMT2ANPC1RAB9A
SCHEMBL29735444 0.82 ALDH1A1 (0.42) KDM4EMAPTKMT2ANPC1RAB9A
SCHEMBL30297439 0.72 PTGES (0.43) PTGESNOTUMADORA3

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
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 CN disclosed