SCHEMBL9700300

SCHEMBL9700300

CC(=O)CC(=O)c1ccc2cccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
PLK1 P53350 1/20 0.49
CHRNA7 P36544 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RY14 Q15391 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2270839 0.88 ALOX15 (0.64) ALDH1A1MEN1KMT2AHTTALOX15
SCHEMBL4404496 0.84 ALDH1A1 (0.54) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL9360254 0.82 MEN1 (0.55) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL29977567 0.82 MEN1 (0.55) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL12600074 0.81 EGLN1 (0.46) EGLN1ALDH1A1MEN1KMT2AHTT
Bromide SCHEMBL23112692 0.80 PTPN1 (0.58) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL27529795 0.79 EGLN1 (0.49) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL29893321 0.78 ALOX15 (0.77) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL2671065 0.78 ALOX15 (0.77) EGLN1ALDH1A1MEN1KMT2AHTT
SCHEMBL2299005 0.78 PLK1 (0.77) EGLN1ALDH1A1MEN1KMT2AHTT

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