SCHEMBL9700266

SCHEMBL9700266

CC(=O)CC(=O)c1ccc(Br)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.51
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.44
HPGDS O60760 1/20 0.44
PKM P14618 1/20 0.44
PRNP P04156 1/20 0.42
PTPN1 P18031 1/20 0.39
AHR P35869 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL27931330 0.82 CNR1 (0.50) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL11596220 0.81 CYP1A2 (0.46) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL203976 0.80 HPGDS (0.60) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL29583066 0.80 RXFP1 (0.55) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL3113843 0.80 RXFP1 (0.55) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL5873129 0.79 PLOD2 (0.42) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL19339818 0.79 LMNA (0.55) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL17716660 0.79 CNR1 (0.46) RXFP1CNR1CNR2MEN1KMT2A
SCHEMBL9700317 0.78 PTPN1 (0.38) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11598244 0.77 HPGDS (0.69) CNR2MEN1KMT2AALDH1A1GAA

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