SCHEMBL9293265

SCHEMBL9293265

CC(=O)Nc1ccc(-c2cccc(Br)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC1 Q13547 2/20 0.51
AOC3 Q16853 2/20 0.51
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
RAB9A P51151 1/20 0.49
NAPRT Q6XQN6 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
SCHEMBL8577619 0.84 SMN1; SMN2 (0.70) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL969807 0.83 RAB9A (0.65) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL9339755 0.82 SMN1; SMN2 (0.79) IDO1SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL8265472 0.81 HSD17B10 (0.66) IDO1SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL264735 0.80 GAA (0.66) IDO1SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL23576901 0.80 HTT (0.63) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL17316953 0.80 HTT (0.63) IDO1SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL6796771 0.80 ALDH1A1 (0.67) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL171741 0.80 L3MBTL1 (0.83) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL3818831 0.80 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350846-A Antibiotics MERCK & CO., INC. (US) 1994-09-27 US disclosed
US-5208329-A Antibacterial agents MERCK & CO., INC. (US) 1993-05-04 US disclosed
US-5182385-A Chemical intermediates for bactericides MERCK & CO., INC. (US) 1993-01-26 US disclosed
EP-0467434-A1 2-Biphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0464900-A2 2-Biphenyl-carbapenems MERCK & CO. INC. (US) 1992-01-08 EP disclosed
US-5025006-A Carbapenicillin antibiotics MERCK & CO., INC. (US) 1991-06-18 US disclosed
US-5011832-A 2-biphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-30 US disclosed