SCHEMBL27705376

SCHEMBL27705376

O=[SH](=O)Cc1nc2c(ccc3ccccc32)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.46
XIAP P98170 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9046562 0.79 AKR1B1 (0.46) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL14001007 0.79 TLR8 (0.48) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL27401551 0.76 AKR1B1 (0.44) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL18548999 0.75 AKR1B1 (0.44) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL27349702 0.73 SMN1; SMN2 (0.51) AKR1B1MEN1KMT2AALDH1A1HPGD
SCHEMBL27765564 0.71 UBE2T (0.59) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL11336662 0.71 AKR1B1 (0.48) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL1801464 0.71 ALDH1A1 (0.52) XIAPMEN1KMT2AALDH1A1HPGD
SCHEMBL11223737 0.71 AKR1B1 (0.43) AKR1B1XIAPMEN1KMT2AALDH1A1
SCHEMBL7905015 0.69 ALDH1A1 (0.46) AKR1B1XIAPMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102367477-A Nucleic acid analysis using saturation dyes UNIV UTAH RES FOUND 2012-03-07 CN disclosed
CN-101198706-B Nucleic acid melting analysis with saturating dyes UNIV UTAH RES FOUND 2011-10-26 CN disclosed
CN-101198706-A Nucleic acid melting analysis with saturating dyes UNIV UTAH RES FOUND (US) 2008-06-11 CN disclosed