SCHEMBL10409201

SCHEMBL10409201

O=C1N(c2ccccc2)CCC12CCN(c1ccccc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
METAP2 P50579 9/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SIGMAR1 Q99720 3/20 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
SCHEMBL10410665 0.89 EGLN1 (0.51) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL6410939 0.80 HSD11B1 (0.53) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL30719359 0.80 MEN1 (0.50) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL10409188 0.80 HSD11B1 (0.47) METAP2HSD11B1HDAC8HDAC6
SCHEMBL15367173 0.78 METAP2 (0.49) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL9361258 0.78 METAP2 (0.49) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL20103215 0.77 EGLN1 (0.48) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL31150920 0.77 HSD11B1 (0.50) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL18208793 0.77 EGLN1 (0.45) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL24203882 0.76 EGLN1 (0.47) MEN1KMT2ANPC1RAB9AMETAP2

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
US-4963691-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1990-10-16 US claimed
US-4963691-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1990-10-16 US disclosed