SCHEMBL2451419

SCHEMBL2451419

Cc1c(C(N)=O)ccc([N+](=O)[O-])c1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
ERN1 O75460 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
BTK Q06187 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2451412 0.90 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL2456053 0.79 BTK (0.46) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL2454771 0.78 KMT2A (0.41) MEN1KMT2AMAPTGAALMNA
SCHEMBL6366770 0.76 TSHR (0.51) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL1117860 0.75 TSHR (0.50) KMT2AMAPTSMN1; SMN2LMNABLM
SCHEMBL2454769 0.72 KMT2A (0.41) MEN1KMT2AMAPTGAALMNA
SCHEMBL2417966 0.71 PKM (0.43) MAPTSMN1; SMN2GAALMNABTK
SCHEMBL1805930 0.70 TSHR (0.72) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL27506555 0.70 TSHR (0.45) KMT2AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL2417969 0.70 ALDH1A1 (0.49) MAPTGAALMNABTKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed
EP-1663193-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-06-07 EP disclosed
WO-2005025558-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed