SCHEMBL21765849

SCHEMBL21765849

CSCC(=O)Nc1cccc(NC(=O)CSC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.56
NR4A1 P22736 1/20 0.56
KMT2A Q03164 9/20 0.56
MEN1 O00255 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL14033071 0.90 RECQL (0.68) POLBKMT2AMEN1L3MBTL1RECQL
SCHEMBL7225647 0.86 TSHR (0.57) POLBKMT2AMEN1L3MBTL1MAPT
SCHEMBL8788041 0.84 ALDH1A1 (0.67) RAB9AKMT2AMEN1L3MBTL1MAPT
SCHEMBL12092129 0.84 KMT2A (0.53) POLBRAB9AKMT2AMEN1L3MBTL1
SCHEMBL8605571 0.81 NPC1 (0.53) POLBRAB9AL3MBTL1MAPTALDH1A1
SCHEMBL23518485 0.80 POLB (0.51) POLBRAB9ANR4A1KMT2AMEN1
SCHEMBL8259957 0.80 POLB (0.71) POLBRAB9AKMT2AMEN1MAPT
SCHEMBL10970617 0.78 RAB9A (0.85) POLBRAB9ANR4A1KMT2AMEN1
SCHEMBL8606580 0.78 ALDH1A1 (0.59) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL3021287 0.77 CYP1A1 (0.55) POLBKMT2AMEN1MAPTALDH1A1

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
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed