SCHEMBL11513877

SCHEMBL11513877

CCOC(=O)Nc1ccnc(-c2ccncc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ATM Q13315 1/20 0.58
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
IDE P14735 2/20 0.57
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 2/20 0.47
KMT2A Q03164 3/20 0.46
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NAMPT P43490 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL11517421 0.87 POLB (0.54) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11514857 0.81 POLB (0.69) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL10919867 0.80 CYP1A2 (0.69) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11696189 0.80 POLB (0.60) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11516739 0.79 POLB (0.51) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11516743 0.79 POLB (0.51) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL15976898 0.79 KMT2A (0.58) POLBALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL11515727 0.79 MEN1 (0.57) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11516097 0.79 POLB (0.50) POLBATMALDH1A1L3MBTL1RXFP1
SCHEMBL11516091 0.79 POLB (0.50) POLBATMALDH1A1L3MBTL1RXFP1

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 7 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-4053475-A ANTI-ALLERGIC AGENTS STERLING DRUG INC. (US) 1977-10-11 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
US-4008235-A ANTIALLERGIC STERLING DRUG INC. (US) 1977-02-15 US disclosed