SCHEMBL11515599

SCHEMBL11515599

CC(=O)CC(=O)N=CNc1ccnc(-c2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
IDE P14735 1/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 6/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 6/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2D6 P10635 2/20 0.37
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL11517436 0.88 L3MBTL1 (0.48) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL10919867 0.74 CYP1A2 (0.69) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11516913 0.74 POLB (0.53) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11515183 0.73 POLB (0.50) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11515588 0.72 POLB (0.49) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11517592 0.72 L3MBTL1 (0.53) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11516597 0.72 POLB (0.51) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11516598 0.72 POLB (0.51) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11515406 0.71 L3MBTL1 (0.52) ATMPOLBL3MBTL1RXFP1ALDH1A1
SCHEMBL11517427 0.71 L3MBTL1 (0.52) ATMPOLBL3MBTL1RXFP1ALDH1A1

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