SCHEMBL11516739

SCHEMBL11516739

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.48
IDE P14735 2/20 0.47
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL11516743 1.00 POLB (0.51) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11517082 0.84 POLB (0.54) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11517079 0.84 POLB (0.54) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11514757 0.80 DHODH (0.47) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11514763 0.80 DHODH (0.47) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11513877 0.79 POLB (0.62) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11515727 0.77 MEN1 (0.57) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11762471 0.76 NPC1 (0.49) L3MBTL1RXFP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11517093 0.76 MEN1 (0.51) POLBL3MBTL1RXFP1ALDH1A1ATM
SCHEMBL11517088 0.76 MEN1 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed
US-4118571-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed