SCHEMBL4300850

SCHEMBL4300850

CCCCCCCCCCCCS(=O)(=O)N1CC[N+](C)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.35
PSMD14 O00487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MC4R P32245 1/20 0.35
RAD52 P43351 1/20 0.35
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 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
Bromide SCHEMBL3331723 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3338324 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3336906 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3336165 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3334662 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3335164 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3333178 0.99 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3333733 0.88 MEN1 (0.39) L3MBTL1LMNASMN1; SMN2POLBGLA
Bromide SCHEMBL3331864 0.88 MEN1 (0.39) L3MBTL1LMNASMN1; SMN2POLBGLA
SCHEMBL13302370 0.87 L3MBTL1 (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1

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-2054398-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER Korea Research Institute of Bioscience and Biotechnology (KR) 2009-05-06 EP claimed
WO-2008018778-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 WO claimed