SCHEMBL18667337

SCHEMBL18667337

CN(C)c1ccc(-c2ncc(CNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)s2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL18667754 0.91 KMT2A (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667456 0.91 TP53 (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667663 0.89 TP53 (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667667 0.89 HPGD (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667344 0.88 HPGD (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL17086084 0.88 HPGD (0.53) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667668 0.88 TP53 (0.49) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667437 0.87 HPGD (0.51) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL30271094 0.87 HPGD (0.51) TP53MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL18667205 0.87 HPGD (0.51) TP53MAPTSMN1; SMN2HPGDKMT2A

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-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed