SCHEMBL7299179

SCHEMBL7299179

COc1ccc(/C=C/CN2CCC(=C3c4ccccc4CSc4ccccc43)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL7299185 1.00 KDM4E (0.42) KDM4ELMNAFNTAFNTBALDH1A1
SCHEMBL7307426 0.89 KDM4E (0.48) KDM4ELMNAALDH1A1TSHRMAPK1
SCHEMBL7307420 0.89 KDM4E (0.48) KDM4ELMNAALDH1A1TSHRMAPK1
SCHEMBL7308587 0.82 SETD7 (0.49) KDM4ELMNAALDH1A1TSHRMAPK1
SCHEMBL7308580 0.82 SETD7 (0.49) KDM4ELMNAALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL7218673 0.81 SETD7 (0.48) KDM4ELMNAALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL7218677 0.81 SETD7 (0.48) KDM4ELMNAALDH1A1TSHRMAPK1
SCHEMBL7302193 0.75 FNTA (0.46) KDM4ELMNAFNTAFNTBALDH1A1
SCHEMBL7302187 0.75 FNTA (0.46) KDM4ELMNAFNTAFNTBALDH1A1
SCHEMBL7300479 0.74 SETD7 (0.49) KDM4ELMNAALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP claimed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed