SCHEMBL10414727

SCHEMBL10414727

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(C#Cc2ccc(NC(=O)c3ccc(N)cc3)cc2)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 2/20 0.39
NAMPT P43490 1/20 0.37
ACACB O00763 1/20 0.37
HDAC3 O15379 1/20 0.36
BRAF P15056 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
SCHEMBL10367552 0.89 ACACB (0.37) ACACBPTPN11
SCHEMBL17200916 0.85 ACACB (0.35) ACACB
SCHEMBL15618181 0.85 ACACB (0.35) ACACB
SCHEMBL2367405 0.82 PPIB (0.34) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL15622015 0.82 CA1 (0.33) ACACBCA1CA2
SCHEMBL10414728 0.80 TP53 (0.44) SMN1; SMN2NPC1TP53RAB9ALMNA
SCHEMBL9360082 0.79 ACACB (0.36) ACACB
SCHEMBL18674471 0.76 NR1H2 (0.35) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL6950971 0.76 PSEN1 (0.37) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL10337495 0.73 ACACB (0.36) SMN1; SMN2TDP1MAPTL3MBTL1ACACB

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-4920195-A Fluorescent lanthanide chelates KANKARE JOUKO (FI) 1990-04-24 US disclosed
EP-0203047-A1 Fluorescent lanthanide chelates Kankare, Jouko (FI) 1986-11-26 EP disclosed