SCHEMBL8974822

SCHEMBL8974822

NC(=O)C(Nc1ccsc1[N+](=O)[O-])c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.37
MEN1 O00255 8/20 0.37
ALDH1A1 P00352 8/20 0.35
POLB P06746 7/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 2/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
DNMT1 P26358 1/20 0.35
MAPK1 P28482 1/20 0.33
MIF P14174 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 2/20 0.32
APEX1 P27695 1/20 0.32
CASP6 P55212 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL377354 0.79 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29456982 0.79 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9246536 0.79 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8830256 0.76 TSHR (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8830303 0.74 MAPT (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14440013 0.71 CXCL8 (0.43) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL8916681 0.70 ITGB1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11481793 0.69 KDM4E (0.51) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL8830164 0.68 KDM4E (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11210924 0.67 NPC1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552430-A ANTIRETROVIRAL COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US claimed