SCHEMBL7070187

SCHEMBL7070187

Cc1ccc(S(=O)(=O)OCCC2=CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 8/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7070454 0.85 KMT2A (0.38) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL13446451 0.83 CA12 (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL7070189 0.79 ALDH1A1 (0.41) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL241884 0.77 CA1 (0.52) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18289524 0.76 CA1 (0.50) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL6906905 0.76 CA1 (0.50) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL8993378 0.75 ALDH1A1 (0.46) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL14183228 0.74 CA12 (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL11094115 0.74 CA1 (0.48) KMT2AALDH1A1LMNAHTTALOX15
SCHEMBL890725 0.73 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2GAACA12

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
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed