SCHEMBL8079343

SCHEMBL8079343

CNc1cccc(C(=O)N(C)C)c1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
CXCR2 P25025 13/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR6 P51684 1/20 0.42
KEAP1 Q14145 1/20 0.41
CXCR1 P25024 3/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MASP2 O00187 1/20 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
SCHEMBL8343253 0.82 POLB (0.58) POLBKDM4EATMCXCR2MEN1
SCHEMBL13970426 0.81 CXCR2 (0.57) CXCR2CCR6CXCR1
SCHEMBL16176968 0.80 G6PD (0.55) POLBKDM4EATMMEN1KMT2A
SCHEMBL8061202 0.80 KDM4E (0.47) POLBKDM4EATMMEN1KMT2A
SCHEMBL11552313 0.80 KDM4E (0.47) POLBKDM4EATM
SCHEMBL22797015 0.79 POLB (0.43) POLBKDM4EATMCXCR2MEN1
SCHEMBL8082335 0.78 MEN1 (0.47) POLBKDM4ECXCR2MEN1KMT2A
SCHEMBL940016 0.77 KDM4E (0.68) POLBKDM4EATMMEN1KMT2A
SCHEMBL7780207 0.77 G6PD (0.55) POLBKDM4ECXCR2MEN1KMT2A
SCHEMBL8828492 0.77 SMN1; SMN2 (0.46) KDM4ECXCR2MEN1KMT2ASMN1; SMN2

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed