SCHEMBL623504

SCHEMBL623504

O=C(O)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL185418 0.89 GCK (0.60) GCKKMT2AALDH1A1LMNAHTT
SCHEMBL623754 0.86 GLA (0.51) GCKTDP1KMT2AALDH1A1MAPK1
SCHEMBL184416 0.84 GCK (0.62) GCKKMT2AALDH1A1MAPK1LMNA
SCHEMBL624697 0.80 GCK (0.50) GCK
SCHEMBL624577 0.79 GCK (0.49) GCK
SCHEMBL184745 0.77 GCK (0.58) GCKKMT2AALDH1A1LMNAHTT
SCHEMBL623036 0.76 GCK (0.79) GCK
SCHEMBL21881471 0.76 TSHR (0.46) KMT2AALDH1A1MAPK1LMNAHTT
SCHEMBL21881840 0.76 TSHR (0.46) KMT2AALDH1A1MAPK1LMNAHTT
SCHEMBL21881480 0.76 TSHR (0.46) KMT2AALDH1A1MAPK1LMNAHTT

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed