SCHEMBL11516097

SCHEMBL11516097

CCOC(=O)C=CNc1ccnc(-c2ccncc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
IDE P14735 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.39
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
CSNK1D P48730 1/20 0.38
CCNC P24863 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
SCHEMBL11516091 1.00 POLB (0.50) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11516598 0.88 POLB (0.51) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11516597 0.88 POLB (0.51) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11515727 0.81 MEN1 (0.57) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11515406 0.80 L3MBTL1 (0.52) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11515401 0.80 L3MBTL1 (0.52) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11513877 0.79 POLB (0.62) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11517093 0.78 MEN1 (0.51) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11517088 0.78 MEN1 (0.51) POLBATMALDH1A1IDEL3MBTL1
SCHEMBL11514663 0.77 MAPT (0.51) POLBATMALDH1A1IDEL3MBTL1

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