SCHEMBL7106497

SCHEMBL7106497

CCCC[S+](CCCC)Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HTR2A P28223 1/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 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
Hydrochloric Acid SCHEMBL7108463 0.98 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19LMNANPC1
SCHEMBL8757226 0.81 SIGMAR1 (0.34) CYP1A2CYP2D6CYP2C19LMNANPC1
SCHEMBL4237394 0.79 TP53 (0.42) SMN1; SMN2MAPK1TP53
Hydrochloric Acid SCHEMBL8730207 0.78 TP53 (0.42) SMN1; SMN2MAPK1L3MBTL1TP53
Hydrochloric Acid SCHEMBL392362 0.77 ESR1 (0.58) LMNAHTR2AESR1ADRA2AADORA3
SCHEMBL9120855 0.75 TP53 (0.42) SMN1; SMN2MAPK1TP53
Hydrochloric Acid SCHEMBL391947 0.74 LMNA (0.46) CYP1A2CYP2D6CYP2C19LMNANPC1
Hydrochloric Acid SCHEMBL9343453 0.73 MEN1 (0.46) SMN1; SMN2MAPK1TP53
Water SCHEMBL9247303 0.73 DNM1 (0.43) SMN1; SMN2MAPK1TP53
SCHEMBL8757335 0.72 DNM1 (0.46) SMN1; SMN2MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974595-B1 PROCESS FOR PRODUCING BORON COMPOUNDS SHOWA DENKO KK (JP) 2003-10-01 EP disclosed
EP-0922708-B1 Production method of borate compounds SHOWA DENKO KK (JP) 2003-05-14 EP disclosed
US-6140537-A REACTING AN ORGANIC OXYBORON COMPOUND WITH LITHIUM, MAGNESIUM, OR COMPOUND THEREOF; FORMING BORON ANION COMPOUND; ION EXCHANGING SHOWA DENKO K.K. (JP) 2000-10-31 US disclosed
EP-0974595-A1 PROCESS FOR PRODUCING BORON COMPOUNDS Showa Denko Kabushiki Kaisha (JP) 2000-01-26 EP disclosed
US-6002044-A REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY SHOWA DENKO K.K. (JP) 1999-12-14 US disclosed
EP-0922708-A2 Production method of borate compounds SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-06-16 EP disclosed
EP-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed