SCHEMBL8971404

SCHEMBL8971404

COC(=O)C(C)[n+]1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11242314 0.79 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL19450217 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL5315069 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL17699091 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
Benzene SCHEMBL6826996 0.71 KMT2A (0.50) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
Benzene SCHEMBL27379713 0.67 KMT2A (0.46) SMN1; SMN2KMT2AMAPTMEN1CA14
SCHEMBL5176797 0.67 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTT
Benzene SCHEMBL28021359 0.65 KMT2A (0.45) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT
SCHEMBL1598299 0.64
Benzene SCHEMBL28394966 0.64 KMT2A (0.46) SMN1; SMN2ALDH1A1KMT2ACA14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP claimed
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP claimed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP disclosed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed