SCHEMBL6435702

SCHEMBL6435702

Cc1ccccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.66
KMO O15229 1/20 0.65
MAOA P21397 4/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
CSNK2A1 P68400 1/20 0.60
MAPT P10636 3/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
MAOB P27338 2/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.55
VCP P55072 1/20 0.54

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
SCHEMBL5966304 0.88 KDM1A (0.66) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL2762413 0.87 KDM1A (0.68) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL728110 0.85 KDM1A (0.74) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL3673316 0.85 KDM1A (0.80) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL2762558 0.84 MEN1 (0.77) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL2762510 0.82 KDM1A (0.69) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL27182617 0.81 KDM1A (0.68) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL8119102 0.81 KDM1A (0.58) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL8355083 0.81 KDM1A (0.84) KDM1AKMOMAOAMEN1KMT2A
SCHEMBL727088 0.81 KDM1A (0.74) KDM1AKMOMAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed