SCHEMBL8658204

SCHEMBL8658204

Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 1/20 0.52
MDM2 Q00987 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL6187607 0.98 MAPK1 (0.64) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL12233268 0.80 MAPK1 (0.53) MAPK1KDM4EMAPTALDH1A1RECQL
SCHEMBL8439255 0.80 KDM4E (0.70) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL28775271 0.79 KDM4E (0.53) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL6876786 0.78 GAA (0.58) MAPK1KDM4EGAAL3MBTL1ALDH1A1
SCHEMBL18989534 0.78 ALDH1A1 (0.46) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL638043 0.78 MAPK1 (1.00) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL638044 0.78 MAPK1 (1.00) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL15331425 0.77 MAPK1 (0.76) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL18990660 0.77 KDM4E (0.65) MAPK1KDM4EGAAL3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
CN-1158855-A Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals HOECHST AG (DE) 1997-09-10 CN disclosed