SCHEMBL7041670

SCHEMBL7041670

CC(C)n1c(N2CCCNCC2)nc2c(OC(N)=O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
PIM1 P11309 1/20 0.40
PRKCA P17252 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 3/20 0.34
ATR Q13535 1/20 0.34
SOS1 Q07889 1/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL7046813 0.96 FLT3 (0.44) FLT3PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL7043340 0.88 CHRNB2 (0.39) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL5622106 0.85 FLT3 (0.44) FLT3PIM1PRKCAPRKCQPRKCD
SCHEMBL7042010 0.84 FLT3 (0.41) FLT3PIM1CHRNB2CHRNA4CYP1A2
SCHEMBL7043722 0.83 MEN1 (0.37) MEN1KMT2ASOS1HTR3A
SCHEMBL7044695 0.81 HTR3A (0.40) PIM1PRKCAPRKCQPRKCDCHRNB2
SCHEMBL7036855 0.81 HTR3A (0.40) PIM1PRKCAPRKCQPRKCDCHRNB2
SCHEMBL7045753 0.81 HTR3A (0.38) CHRNB2CHRNA4CYP1A2CYP2C9MEN1
SCHEMBL7042936 0.81 MEN1 (0.38) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7038476 0.80 MEN1 (0.40) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed