SCHEMBL6995869

SCHEMBL6995869

O=C(O)n1ccc(C2CCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MGLL Q99685 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
KCNJ6 P48051 5/20 0.33
KCNJ5 P48544 5/20 0.33
KCNJ3 P48549 5/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FAAH O00519 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CNR2 P34972 2/20 0.33
ATM Q13315 1/20 0.33
GLS O94925 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL27157370 0.93 SMN1; SMN2 (0.39) KMOUSP30MGLLSMN1; SMN2NPC1
SCHEMBL6604572 0.84 SCN4A (0.40) KMOMGLLSMN1; SMN2NPC1RAB9A
SCHEMBL31517595 0.81 MGLL (0.31) USP30MGLLFAAH
SCHEMBL6607433 0.81 SCN4A (0.40) KMOMGLLSMN1; SMN2NPC1RAB9A
SCHEMBL31708787 0.80 SCN4A (0.43) MGLLSMN1; SMN2NPC1RAB9AKCNJ6
SCHEMBL6602289 0.76 SCN4A (0.42) MGLLSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23213554 0.75 NPC1 (0.44) MGLLSMN1; SMN2NPC1RAB9APKM
SCHEMBL30071467 0.70 NPC1 (0.43) MGLLSMN1; SMN2NPC1RAB9APKM
SCHEMBL2629334 0.69 DDB1 (0.46) MGLLSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30730269 0.69 KDM4E (0.35) KMOMGLLSMN1; SMN2NPC1RAB9A

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
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO disclosed