SCHEMBL8205689

SCHEMBL8205689

C=CCCCCCNC(=O)c1cccc(S(=O)(=O)NC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PTBP1 P26599 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
FBP1 P09467 4/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3047715 0.86 CA2 (0.50) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL25738956 0.81 ALDH1A1 (0.56) LMNAPTBP1MEN1KMT2AMAPT
SCHEMBL25738537 0.78 MEN1 (0.56) LMNAPTBP1MEN1KMT2AMAPT
SCHEMBL5475723 0.75 KMT2A (0.64) LMNAMEN1KMT2APOLBTDP1
SCHEMBL9024308 0.74 LMNA (0.60) LMNAPTBP1MEN1KMT2AMAPT
SCHEMBL12060827 0.74 LMNA (0.63) LMNAPTBP1MEN1KMT2AMAPT
SCHEMBL18292573 0.71 ALDH1A1 (0.61) LMNAMAPTPOLBTDP1SMN1; SMN2
SCHEMBL31267580 0.71 NPC1 (0.60) LMNAPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL3843062 0.71 SMN1; SMN2 (0.74) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL9828792 0.70 LMNA (0.67) LMNAMEN1KMT2APOLBSMN1; SMN2

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-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed