SCHEMBL17833238

SCHEMBL17833238

CNCCCNc1nc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)nc2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
SYK P43405 3/20 0.37
KCNH2 Q12809 2/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 2/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.35
ACP1 P24666 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KDM1A O60341 1/20 0.33
PRKCI P41743 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL17833283 0.93 SYK (0.40) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17833235 0.92 SYK (0.43) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17833161 0.91 KMT2A (0.40) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17829844 0.89 RAD52 (0.48) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17833279 0.89 CTNNB1 (0.37) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17833280 0.89 SYK (0.37) TNKSTNKS2PARP2SYKKCNH2
SCHEMBL17829910 0.88 SYK (0.44) SYKKCNH2KDM4EALDH1A1GAA
SCHEMBL17833277 0.88 SYK (0.37) SYKKCNH2CTNNB1TCF7L2KDM4E
SCHEMBL17833150 0.87 CYP1A2 (0.41) ALDH1A1KMT2A
SCHEMBL17829964 0.86 CYP1A2 (0.37) SYKKDM4EALDH1A1GAARAD52

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed