SCHEMBL17833189

SCHEMBL17833189

CNCCCNc1nc(-c2ccc3cc(Cl)c(Cl)cc3c2)nc2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
RAD52 P43351 2/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
SYK P43405 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC2A1 P11166 1/20 0.37
ACP1 P24666 1/20 0.37
KCNH2 Q12809 2/20 0.36
KDR P35968 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL17833191 0.92 RAD52 (0.42) KMT2ARAD52MEN1POLBSYK
SCHEMBL17829798 0.88 POLB (0.53) KMT2ARAD52MEN1POLBSYK
SCHEMBL17833237 0.83 KMT2A (0.39) KMT2ARAD52MEN1POLBSYK
SCHEMBL17829683 0.80 KDM1A (0.40) KMT2ARAD52MEN1POLBSYK
SCHEMBL17833192 0.79 PRKCI (0.40) KMT2ARAD52MEN1POLBSYK
SCHEMBL17829800 0.79 RAD52 (0.58) KMT2ARAD52POLBSYKSLC2A1
SCHEMBL17829886 0.79 POLB (0.55) KMT2ARAD52MEN1POLBSYK
SCHEMBL17833280 0.78 SYK (0.37) KMT2ARAD52MEN1POLBSYK
SCHEMBL17829568 0.78 RAD52 (0.59) KMT2ARAD52POLBSYKSLC2A1
SCHEMBL17833283 0.78 SYK (0.40) KMT2ARAD52MEN1POLBSYK

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