SCHEMBL9700485

SCHEMBL9700485

CC(=O)CC(=O)c1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.61
CFTR P13569 1/20 0.56
HPGDS O60760 1/20 0.51
MAP4K4 O95819 1/20 0.50
CSNK1G2 P78368 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.49
BCAT1 P54687 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDR P35968 1/20 0.49
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL5363975 0.86 MGAM (0.68) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL5161544 0.85 MGAM (0.58) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL5160062 0.85 MGAM (0.58) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL7100632 0.84 MGAM (0.61) MGAMCFTRHPGDSKDM4EKMT2A
SCHEMBL8270577 0.84 MGAM (0.65) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL529904 0.84 MGAM (0.65) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL5163220 0.84 MGAM (0.56) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL5160063 0.82 MGAM (0.55) MGAMCFTRHPGDSKDM4EKMT2A
SCHEMBL29684771 0.82 MGAM (0.71) MGAMCFTRHPGDSMAP4K4CSNK1G2
SCHEMBL530761 0.82 MGAM (0.71) MGAMCFTRHPGDSMAP4K4CSNK1G2

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-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed