SCHEMBL17833283

SCHEMBL17833283

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
ALDH1A1 P00352 3/20 0.37
RAD52 P43351 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CTSK P43235 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACP1 P24666 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
ELANE P08246 1/20 0.35
MAPK1 P28482 1/20 0.35
UBE2N P61088 1/20 0.35
TP53 P04637 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL17833161 0.96 KMT2A (0.40) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833235 0.93 SYK (0.43) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833279 0.93 CTNNB1 (0.37) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833280 0.93 SYK (0.37) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833238 0.93 TNKS (0.41) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17829910 0.91 SYK (0.44) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833150 0.90 CYP1A2 (0.41) ALDH1A1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL17829964 0.89 CYP1A2 (0.37) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17833277 0.89 SYK (0.37) SYKALDH1A1RAD52KDM4EKMT2A
SCHEMBL17829872 0.88 RAD52 (0.52) SYKALDH1A1RAD52KMT2AKCNH2

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