SCHEMBL8770455

SCHEMBL8770455

Cc1ccc(S(=O)(=O)O[C@H](C(=O)OC(C)(C)C)C(N)Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
CTSL P07711 1/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CA7 P43166 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8770458 0.81 LTA4H (0.46) P2RX7GAAMAPTLMNAITGA4
SCHEMBL1827092 0.79 P2RX7 (0.51) P2RX7
SCHEMBL7950818 0.79 TDP1 (0.42) GAAMAPTLMNABCHEACHE
SCHEMBL6154518 0.78 KMT2A (0.40) P2RX7GAALMNAKMT2AMEN1
SCHEMBL1827267 0.78 P2RX7 (0.46) P2RX7GAAMAPTLMNAKMT2A
SCHEMBL5914209 0.77 P2RX7 (0.47) P2RX7GAAMAPTLMNAITGA4
SCHEMBL5336287 0.77 P2RX7 (0.47) P2RX7GAAMAPTLMNAITGA4
SCHEMBL5914207 0.77 P2RX7 (0.47) P2RX7GAAMAPTLMNAITGA4
SCHEMBL27628888 0.76 KCNA5 (0.39) P2RX7MAPTLMNAKMT2AMEN1
SCHEMBL6897562 0.76 SLC1A3 (0.51) MAPTKMT2AMEN1ITGA4ITGB7

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
EP-0585397-B1 BOMBESIN ANALOGS MERRELL PHARMA INC (US) 1997-08-06 EP disclosed