SCHEMBL11080976

SCHEMBL11080976

C[S+]([O-])CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL8757220 0.84 GSK3B (0.57) GSK3BCA1CA2ERCC5FEN1
SCHEMBL11080968 0.82 GSK3B (0.53) GSK3BL3MBTL1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL8756346 0.82 GSK3B (0.55) GSK3BCA1CA2ERCC5FEN1
SCHEMBL10350150 0.81 CA1 (0.52) CA1CA2NPC1RAB9AMAPT
SCHEMBL8398448 0.80 KMT2A (0.52) GSK3BCA2ERCC5FEN1L3MBTL1
SCHEMBL10350661 0.78 ALDH1A1 (0.52) NPC1RAB9AMAPTKMT2AALOX15
SCHEMBL11080998 0.78 HDAC3 (0.58) GSK3BCA1CA2L3MBTL1NPC1
SCHEMBL11083010 0.77 GSK3B (0.59) GSK3BCA1CA2CES2CES1
SCHEMBL11700913 0.75 MAPT (0.53) GSK3BERCC5FEN1L3MBTL1NPC1
SCHEMBL11712464 0.74 LMNA (0.52) CA1CA2ERCC5FEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068371-B1 PROCESS FOR PREPARING SULFIDES BASF Aktiengesellschaft (DE) 1984-03-21 EP disclosed
US-4438282-A REDUCTION OF SULFOXIDE WITH HYDRAZINE OR HYDROXYLAMINE OR DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
EP-0068371-A1 Process for preparing sulfides BASF Aktiengesellschaft (DE) 1983-01-05 EP disclosed