SCHEMBL9664669

SCHEMBL9664669

O=C(Cc1ccc(F)cc1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
POLB P06746 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CTBP2 P56545 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL10014259 0.91 SMN1; SMN2 (0.50) GAAPOLBSMN1; SMN2CTBP2ALDH1A1
SCHEMBL6469067 0.91 SMN1; SMN2 (0.50) GAAPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL27479664 0.89 POLB (0.42) GAAPOLBSMN1; SMN2CTBP2ALDH1A1
SCHEMBL3953274 0.88 NMT2 (0.46) POLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1475977 0.86 NMT2 (0.46) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10789386 0.86 HPGD (0.52) GAAPOLBSMN1; SMN2ALDH1A1APEX1
SCHEMBL10789393 0.86 HPGD (0.52) GAAPOLBSMN1; SMN2ALDH1A1APEX1
SCHEMBL14042690 0.82 CA2 (0.54) CTBP2LMNATDP1MEN1KMT2A
SCHEMBL12834066 0.80 HPGD (0.50) POLBCTBP2ALDH1A1TDP1MEN1
SCHEMBL2044549 0.80 LMNA (0.58) GAAPOLBCTBP2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131302-B1 IMIDAZOLIUM SALTS, INTERMEDIATES THERETO AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
US-4689341-A Antiarrhythmic imidazoles SCHERING A.G. (DE) 1987-08-25 US disclosed
US-4613609-A Antiarrhythmic imidazoliums SCHERING A. G. (DE) 1986-09-23 US disclosed
US-4581370-A Antiarrhythmic imidazoliums SCHERING A.G. (DE) 1986-04-08 US disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 EP disclosed