SCHEMBL9681106

SCHEMBL9681106

O=S(=O)(N1CCOCC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28283496 0.83 KMT2A (0.47) KMT2APOLBMEN1GAALMNA
SCHEMBL1850750 0.78 KMT2A (0.43) KMT2APOLBMEN1GAALMNA
SCHEMBL962782 0.72 LMNA (0.54) POLBGAALMNASMN1; SMN2TSHR
SCHEMBL5960399 0.72 POLB (0.80) KMT2APOLBMEN1GAALMNA
SCHEMBL27966258 0.71 LMNA (0.52) KMT2APOLBMEN1GAALMNA
SCHEMBL3252762 0.68 KMT2A (0.73) KMT2APOLBMEN1GAALMNA
SCHEMBL1853128 0.68 LMNA (0.53) KMT2APOLBMEN1GAALMNA
SCHEMBL3778246 0.68 LMNA (0.71) KMT2AGAALMNASMN1; SMN2ALDH1A1
SCHEMBL1853129 0.68 POLB (0.71) KMT2APOLBMEN1GAALMNA
SCHEMBL28127645 0.68 LMNA (0.58) KMT2APOLBMEN1GAALMNA

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-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed