SCHEMBL17833285

SCHEMBL17833285

CNCCCNc1nc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)nc2c(C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
SYK P43405 3/20 0.40
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 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
SCHEMBL17829860 0.90 KCNH2 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17833283 0.86 SYK (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17833161 0.84 KMT2A (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17833238 0.82 TNKS (0.41) KMT2AKDM4EALDH1A1SYKKCNH2
SCHEMBL17833235 0.82 SYK (0.43) KMT2AKDM4EALDH1A1SYKMAPK1
SCHEMBL17833279 0.82 CTNNB1 (0.37) KMT2AKDM4EALDH1A1SYKKCNH2
SCHEMBL17833280 0.82 SYK (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17829892 0.80 MAPT (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17829910 0.80 SYK (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17829862 0.79 CCR4 (0.44) KDM4EALDH1A1TSHRHSD17B10CYP3A4

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