SCHEMBL2582375

SCHEMBL2582375

CSc1ccc(/C(C#N)=N\OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 4/20 0.36
TSHR P16473 4/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 2/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
MPI P34949 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2582376 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL10097224 0.91 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10083959 0.91 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18957974 0.91 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7789209 0.89 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7789208 0.89 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7786939 0.86 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7786937 0.86 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13876586 0.86 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12760555 0.85 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049186-B2 UV-dosis indicators BASF SE (DE) 2011-11-01 US disclosed
US-20090194708-A1 UV-DOSIS INDICATORS BASF SE (DE) 2009-08-06 US disclosed
EP-2054769-A1 UV-DOSIS INDICATORS Ciba Holding Inc. (CH) 2009-05-06 EP disclosed
WO-2008022952-A1 UV-DOSIS INDICATORS CIBA HOLDING INC. (CH) 2008-02-28 WO disclosed