SCHEMBL18667754

SCHEMBL18667754

CN(C)c1ncc(-c2ncc(CNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 6/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
ATG4B Q9Y4P1 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
SCHEMBL18667337 0.91 TP53 (0.47) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667456 0.91 TP53 (0.49) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667336 0.90 HPGD (0.50) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL17086084 0.90 HPGD (0.53) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667180 0.89 TP53 (0.51) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667663 0.89 TP53 (0.49) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL23018620 0.89 HPGD (0.51) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL17086000 0.88 TP53 (0.54) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667667 0.88 HPGD (0.49) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL18667205 0.87 HPGD (0.51) KMT2AMEN1TP53MAPTSMN1; SMN2

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
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed