SCHEMBL28158296

SCHEMBL28158296

O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1OCl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
MAPT P10636 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPK1 P28482 4/20 0.70
LMNA P02545 3/20 0.70
CYP3A4 P08684 2/20 0.70
PPARG P37231 2/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
PKM P14618 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
THPO P40225 1/20 0.70
MTOR P42345 1/20 0.70
RORC P51449 1/20 0.70
PMP22 Q01453 1/20 0.70

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
SCHEMBL28046110 0.90 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL8977114 0.86 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL8940873 0.85 KMT2A (0.63) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL28158722 0.84 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL29369092 0.82 RORC (1.00) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL420231 0.82 RORC (1.00) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6811505 0.82 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL10836873 0.81 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL17699316 0.81 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL28257380 0.80 CTSV (0.57) KMT2AMEN1MAPTSMN1; SMN2CYP3A4

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
CN-107847507-A Halogenated salicylanilides for the treatment of Clostridium infections 德克抗生素股份公司 2018-03-27 CN disclosed
CN-107635563-A Antimicrobial compound 维多利亚联结有限公司 2018-01-26 CN disclosed
CN-106999505-A The antibacterial application of halo salicylanilide 安蒂比奥特克斯有限公司 2017-08-01 CN disclosed