SCHEMBL9700491

SCHEMBL9700491

O=C(O)c1cccc2c(Br)cc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
AKR1C4 P17516 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 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
Hydrochloric Acid SCHEMBL9700325 0.98 PRNP (0.51) PRNPNR4A1NR4A2NR4A3AKR1C3
SCHEMBL10080496 0.87 PRNP (0.59) PRNPNR4A1NR4A2NR4A3AKR1C3
SCHEMBL9699285 0.84 MEN1 (0.41) PRNPMEN1KMT2ARXFP1ALDH1A1
SCHEMBL8060924 0.84 PRNP (0.40) PRNPAKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL148106 0.80 PRNP (0.76) PRNPNR4A1NR4A2NR4A3MEN1
SCHEMBL6913860 0.79 PRNP (0.73) PRNPNR4A1NR4A2NR4A3MEN1
SCHEMBL6913620 0.79 PRNP (0.73) PRNPNR4A1NR4A2NR4A3MEN1
SCHEMBL6913857 0.79 PRNP (0.73) PRNPNR4A1NR4A2NR4A3MEN1
Hydrochloric Acid SCHEMBL11734513 0.79 PRNP (0.73) PRNPNR4A1NR4A2NR4A3MEN1
SCHEMBL6913244 0.79 PRNP (0.73) PRNPNR4A1NR4A2NR4A3MEN1

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