SCHEMBL11508985

SCHEMBL11508985

COc1ccc(S(=O)(=O)N2CCNCC2)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.80
MCOLN3 Q8TDD5 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
NPBWR1 P48145 1/20 0.50
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 2/20 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
SCHEMBL2820535 0.86 KMT2A (0.64) KMT2AMCOLN3PKMSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL3122697 0.85 KMT2A (0.62) KMT2AMCOLN3PKMSMN1; SMN2L3MBTL1
SCHEMBL2959210 0.79 ALDH1A1 (0.66) KMT2APKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11508483 0.79 PKM (0.60) KMT2AMCOLN3PKMSMN1; SMN2L3MBTL1
SCHEMBL18362596 0.78 PKM (0.51) KMT2AMCOLN3PKMSMN1; SMN2L3MBTL1
SCHEMBL10571161 0.78 KMT2A (0.64) KMT2AMCOLN3SMN1; SMN2ALDH1A1GAA
SCHEMBL10573633 0.78 KMT2A (0.64) KMT2AMCOLN3ALDH1A1GAATSHR
SCHEMBL2821332 0.78 KMT2A (0.75) KMT2APKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1352340 0.77 PKM (0.77) KMT2APKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16814147 0.77 MAPT (0.51) KMT2AMCOLN3PKMSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 US disclosed