SCHEMBL9700317

SCHEMBL9700317

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
RXFP1 Q9HBX9 1/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 3/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
F2R P25116 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GMNN O75496 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL9699285 0.82 MEN1 (0.41) KMT2AMEN1RXFP1PRNPHPGD
SCHEMBL9700266 0.78 RXFP1 (0.51) PTPN1KMT2AMEN1RXFP1PRNP
SCHEMBL9700491 0.77 PRNP (0.53) PTPN1KMT2AMEN1RXFP1PRNP
SCHEMBL8060924 0.76 PRNP (0.40) KMT2AMEN1RXFP1PRNPHPGD
Hydrochloric Acid SCHEMBL9700325 0.76 PRNP (0.51) PTPN1KMT2AMEN1RXFP1PRNP
SCHEMBL4707024 0.74 PTPN1 (0.62) PTPN1KMT2AMEN1HPGDALDH1A1
SCHEMBL11599087 0.70 ERCC5 (0.40) PTPN1KMT2AMEN1HPGDALDH1A1
SCHEMBL17506959 0.68 DGAT1 (0.56) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL9699385 0.68 NSD2 (0.56) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL2822591 0.67 L3MBTL1 (0.56) KMT2AMEN1RXFP1ALDH1A1CYP1A2

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