SCHEMBL17833161

SCHEMBL17833161

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
RAD52 P43351 2/20 0.40
SYK P43405 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
CTSK P43235 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
ACP1 P24666 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NOS3 P29474 1/20 0.36

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 0.96 SYK (0.40) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17833238 0.91 TNKS (0.41) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17833235 0.91 SYK (0.43) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17833279 0.91 CTNNB1 (0.37) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17833280 0.91 SYK (0.37) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17829573 0.89 RAD52 (0.54) KMT2ARAD52SYKALDH1A1MEN1
SCHEMBL17829910 0.89 SYK (0.44) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17833150 0.88 CYP1A2 (0.41) KMT2AALDH1A1MEN1LMNA
SCHEMBL17829964 0.87 CYP1A2 (0.37) KMT2ARAD52SYKKDM4EALDH1A1
SCHEMBL17829589 0.87 RAD52 (0.48) KMT2ARAD52ALDH1A1MEN1POLB

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