SCHEMBL11517079

SCHEMBL11517079

C/C(Nc1ccnc(-c2ccncc2)n1)=C(\C#N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.51
IDE P14735 2/20 0.50
LMNA P02545 3/20 0.48
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
PRNP P04156 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL11517082 1.00 POLB (0.54) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11516739 0.84 POLB (0.51) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11516743 0.84 POLB (0.51) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL10919867 0.79 CYP1A2 (0.69) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11514857 0.77 POLB (0.69) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11515975 0.75 L3MBTL1 (0.49) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11515971 0.73 L3MBTL1 (0.39) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11694093 0.73 POLB (0.64) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11699162 0.73 L3MBTL1 (0.67) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11515183 0.72 POLB (0.50) POLBL3MBTL1RXFP1ALDH1A1ATM

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
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed