SCHEMBL11517093

SCHEMBL11517093

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
IDE P14735 1/20 0.44
LMNA P02545 2/20 0.42
DHODH Q02127 3/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11517088 1.00 MEN1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11515727 0.94 MEN1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11514663 0.90 MAPT (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11514659 0.90 MAPT (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11651060 0.86 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11653829 0.84 LMNA (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11515183 0.83 POLB (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11514763 0.83 DHODH (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11514757 0.83 DHODH (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11651088 0.83 MEN1 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1

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