SCHEMBL8709783

SCHEMBL8709783

COC(=O)c1sccc1N.O=C(O)c1sccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 2/20 0.42
PPARG P37231 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 2/20 0.41
MAPK10 P53779 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL102285 0.86 KMT2A (0.54) KMT2AL3MBTL1NPC1NPSR1KDM4E
Hydrochloric Acid SCHEMBL11047954 0.84 KMT2A (0.53) KMT2AL3MBTL1NPC1NPSR1KDM4E
SCHEMBL318317 0.82 KMT2A (0.54) KMT2AL3MBTL1NPC1PPARGNCOA1
SCHEMBL399760 0.79
SCHEMBL7574607 0.77 POLB (0.45) KMT2AL3MBTL1NPSR1KDM4EALDH1A1
SCHEMBL8220233 0.76 ALDH1A1 (0.46) KMT2AL3MBTL1NPC1PPARGNCOA1
SCHEMBL930387 0.75
SCHEMBL27982364 0.73 LMNA (0.43) KMT2AL3MBTL1NPC1NPSR1KDM4E
Hydrochloric Acid SCHEMBL2269210 0.73 PTPN2 (0.46) KMT2AL3MBTL1NPC1NPSR1KDM4E
SCHEMBL27691586 0.73 PTPN2 (0.46) KMT2AL3MBTL1NPC1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed