SCHEMBL9444543

SCHEMBL9444543

COc1ccc(CCN2CCCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)C2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.60
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL9444495 0.89 KCNH2 (0.58) KMT2AALDH1A1MEN1KDM4EPOLB
Hydrochloric Acid SCHEMBL9444430 0.88 KCNH2 (0.59) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL10645360 0.79 KMT2A (0.54) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9444426 0.79 MAPK1 (0.58) KDM2BKMT2AALDH1A1MEN1KDM4E
SCHEMBL9444367 0.77 ABCB1 (0.61) ALDH1A1LMNAMAPTHTT
SCHEMBL10508915 0.77 MAPT (0.59) KDM2BKMT2AALDH1A1MEN1POLB
SCHEMBL9175462 0.76 KCNH2 (0.61) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL9444358 0.76 KCNH2 (0.80) KDM2BKMT2AALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL9250962 0.76 POLB (0.62) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL9678100 0.76 KCNH2 (0.48) KMT2AALDH1A1MEN1LMNAKCNH2

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-0235752-B1 Piperidine derivative, pharmaceutical composition containing the same and use EISAI CO LTD (JP) 1993-11-18 EP disclosed
US-5179095-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1993-01-12 US disclosed
US-5118689-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1992-06-02 US disclosed
US-4996215-A Antiarrythmia agents EISAI CO., LTD. (JP) 1991-02-26 US disclosed
US-4876262-A ANTIARRHYTHMIA AGENTS EISAI CO., LTD. (JP) 1989-10-24 US disclosed
EP-0235752-A2 Piperidine derivative, pharmaceutical composition containing the same and use Eisai Co., Ltd. (JP) 1987-09-09 EP disclosed