SCHEMBL17833148

SCHEMBL17833148

CNCCCNc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(C(C)C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.39
ACP1 P24666 2/20 0.39
SYK P43405 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE5A O76074 2/20 0.36
POLB P06746 1/20 0.36
TLR9 Q9NR96 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL17829904 0.89 ALDH1A1 (0.51) ACP1ALDH1A1RAD52KMT2AMAPK1
SCHEMBL17833152 0.89 ACP1 (0.42) GBA1ACP1SYKALDH1A1KDM4E
SCHEMBL17829955 0.83 SYK (0.36) GBA1SYKALDH1A1RAD52KMT2A
SCHEMBL17833238 0.82 TNKS (0.41) ACP1SYKALDH1A1KDM4EGAA
SCHEMBL17833235 0.82 SYK (0.43) ACP1SYKALDH1A1KDM4EGAA
SCHEMBL17829915 0.81 GBA1 (0.40) GBA1ACP1SYKALDH1A1KDM4E
SCHEMBL17833283 0.81 SYK (0.40) ACP1SYKALDH1A1KDM4EGAA
SCHEMBL17833154 0.79 SYK (0.37) ACP1SYKALDH1A1KDM4EGAA
SCHEMBL17833161 0.79 KMT2A (0.40) ACP1SYKALDH1A1KDM4EGAA
SCHEMBL17829908 0.79 ALDH1A1 (0.44) SYKALDH1A1RAD52KMT2AMAPK1

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