SCHEMBL9713851

SCHEMBL9713851

CC(=O)Nc1ccc(Sc2c(Br)cc([N+](=O)[O-])cc2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.53
▸ MAPT P10636 8/20 0.52
▸ KMT2A Q03164 9/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ PKM P14618 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
SCHEMBL3902453 0.82 KMT2A (0.73) PAX8MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2957229 0.79 KMT2A (0.54) PAX8MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL28775114 0.77 SMN1; SMN2 (0.65) PAX8MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL642700 0.75 KMT2A (0.81) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL16922176 0.75 KMT2A (0.81) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL2961835 0.74 MAPT (0.52) PAX8MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14415151 0.74 SMN1; SMN2 (0.50) MAPTKMT2AMEN1SMN1; SMN2HTT
Phosphine SCHEMBL28320532 0.73 KMT2A (0.78) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL11769655 0.73 MEN1 (0.50) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL13408629 0.73 SMN1; SMN2 (0.51) PAX8MAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 — — US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 — — US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 — — US disclosed
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