SCHEMBL623009

SCHEMBL623009

COC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.62
GLA P06280 1/20 0.61
ALDH1A1 P00352 6/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 2/20 0.54

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
SCHEMBL184604 0.99 AGTR1 (0.64) AGTR1GLAALDH1A1TSHRHSD17B10
SCHEMBL7358861 0.87 LMNA (0.60) ALDH1A1HSD17B10SMN1; SMN2USP2
SCHEMBL2517602 0.86 ALDH1A1 (0.67) AGTR1ALDH1A1TSHRTDP1MAPT
SCHEMBL10141350 0.84 GLA (0.56) AGTR1GLAALDH1A1TDP1KMT2A
SCHEMBL11148867 0.82 TDP1 (0.66) AGTR1GLAALDH1A1TDP1KMT2A
SCHEMBL2517123 0.81 MEN1 (0.62) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL1422197 0.80 USP2 (0.65) GLAALDH1A1TDP1KMT2AMEN1
SCHEMBL3000302 0.80 USP2 (0.59) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL5453322 0.78 MEN1 (0.58) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL12793562 0.78 GLA (0.63) GLAALDH1A1TSHRTDP1KMT2A

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