SCHEMBL3264755

SCHEMBL3264755

CCOc1c(I)cnn1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
CA7 P43166 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31710662 0.73 KMT2A (0.40) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL3263297 0.66 KDM4E (0.32) KMT2APKMNPSR1MEN1
SCHEMBL3263504 0.64 CA12 (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL23087251 0.61 PRMT5 (0.47) ALDH1A1MAPT
SCHEMBL21240960 0.59 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL19538938 0.58 HDAC8 (0.43) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL29520810 0.57 HDAC3 (0.45) KMT2AGAAALDH1A1LMNAHSD17B10
SCHEMBL31192827 0.57 CYP1A2 (0.39) KMT2APKMNPSR1ALDH1A1LMNA
SCHEMBL693245 0.57 MEN1 (0.35) KMT2AMEN1POLB
SCHEMBL23248593 0.57 ALDH1A1 (0.46) KMT2APKMGAAALDH1A1LMNA

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-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed