SCHEMBL10414728

SCHEMBL10414728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DNMT1 P26358 1/20 0.42
DNMT3L Q9UJW3 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39

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
SCHEMBL10367555 0.90 APP (0.36) SMN1; SMN2TDP1PTPN11
SCHEMBL10414727 0.80 SMN1; SMN2 (0.43) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5004498 0.72 ALDH1A1 (0.36) TDP1MAPTL3MBTL1KDM4E
SCHEMBL13379490 0.70 PTPN11 (0.54) RAB9ASMN1; SMN2LMNAPOLBMEN1
SCHEMBL22461364 0.70 POLB (0.67) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31311111 0.69 MLYCD (0.54) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21235627 0.68 PTPN11 (0.40) CA12CA1CA2CA9PTPN11
SCHEMBL10367814 0.68 MTNR1A (0.38) TDP1MAPTL3MBTL1KDM4E
SCHEMBL5201034 0.68 VSIR (0.38) MAPTL3MBTL1
SCHEMBL2213535 0.66 NAMPT (0.65) TP53NPC1RAB9ASMN1; SMN2LMNA

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