SCHEMBL13670497

SCHEMBL13670497

O=C1N[C@@H](CS)C(=O)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
GAA P10253 4/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.51
EP300 Q09472 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 1/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
ELANE P08246 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL13668088 1.00 KMT2A (0.57) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL11270312 0.86 GAA (0.74) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL29721615 0.85 HDAC1 (0.58) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL13879503 0.83 ALDH1A1 (0.77) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL28839605 0.82 HDAC1 (0.59) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL11290809 0.80 ALDH1A1 (0.56) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL11292746 0.80 ALDH1A1 (0.56) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL11288323 0.79 ALDH1A1 (0.55) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL13668084 0.79 ALDH1A1 (0.52) KMT2AGAAPOLBALDH1A1HDAC1
SCHEMBL6641053 0.79 GAA (0.63) KMT2AGAAPOLBALDH1A1HDAC1

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
US-7598092-B2 Methods, devices, systems and computer program products for stochastic, competitive, force-based analyte detection TOONE ERIC 2009-10-06 US disclosed
US-20080090259-A1 METHODS, DEVICES, SYSTEMS AND COMPUTER PROGRAM PRODUCTS FOR STOCHASTIC, COMPETITIVE, FORCE-BASED ANALYTE DETECTION TOONE ERIC 2008-04-17 US disclosed