SCHEMBL8052589

SCHEMBL8052589

CS[C](c1ccccc1)C(SC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 4/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34

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
SCHEMBL8804842 0.76 L3MBTL1 (0.55) L3MBTL1NPC1RAB9ATDP1LMNA
SCHEMBL12152321 0.76 L3MBTL1 (0.40) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL21687919 0.72 SRC (0.50) L3MBTL1NPC1RAB9AKMT2ALMNA
SCHEMBL9755853 0.72 NPC1 (0.42) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL4740644 0.72 SRC (0.50) L3MBTL1NPC1RAB9AKMT2ALMNA
SCHEMBL21687922 0.72 SRC (0.50) L3MBTL1NPC1RAB9AKMT2ALMNA
SCHEMBL9756551 0.69 NPC1 (0.47) L3MBTL1NPC1RAB9AKMT2ALMNA
SCHEMBL1569023 0.69 NPC1 (0.51) L3MBTL1NPC1RAB9ALMNACYP2D6
SCHEMBL5344409 0.68 KMT2A (0.48) L3MBTL1RAB9AMEN1KMT2ATDP1
SCHEMBL13789642 0.67 HDAC1 (0.57) L3MBTL1NPC1RAB9AKMT2ATDP1

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
US-6025350-A C-4\" substituted macrolide antibiotics PFIZER INC. (US) 2000-02-15 US disclosed