SCHEMBL7616337

SCHEMBL7616337

CSc1ccccc1CCl.C[S+]([O-])c1ccccc1CCl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4461201 0.86 ALDH1A1 (0.41) ALDH1A1TSHRKMT2A
SCHEMBL1146257 0.84 CHRM2 (0.48) CHRM2ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL514068 0.78 HTT (0.33) CHRM2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10835425 0.72 ALDH1A1 (0.42) ALDH1A1TSHRKMT2A
SCHEMBL16511614 0.69 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL7621965 0.69 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14375981 0.68 GABRA1 (0.41) ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL7086960 0.67 APOBEC3G (0.58) CHRM2ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL7648830 0.67 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL5250559 0.67 SLC6A4 (0.42) ALDH1A1TSHRLMNASLC6A2SLC6A4

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-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed