SCHEMBL9678401

SCHEMBL9678401

Cc1cccc(CCN(C)CCCCC(=O)c2ccc(NS(C)(=O)=O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRA P10827 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL9447468 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9676515 0.93 KCNH2 (0.54) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9678090 0.88 KCNH2 (0.52) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9677412 0.87 KCNH2 (0.55) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9447437 0.86 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9692733 0.84 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9678403 0.83 KCNH2 (0.49) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9678420 0.82 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9447426 0.80 KCNH2 (0.51) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9447432 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2D6CYP2C19KDM4E

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-0304888-B1 SULFONAMIDOLPHENYL DERIVATES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRYTHMIA CONTAINING SAME Eisai Co., Ltd. (JP) 1992-11-11 — — EP disclosed
US-5162347-A Piperidine derivatives and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1992-11-10 — — US disclosed
US-5082850-A PIPERIDINE DERIVATIVES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRHYTHMIA CONTAINING SAME EISAI CO., LTD. (JP) 1992-01-21 — — US disclosed
US-4977165-A Piperidine derivative and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1990-12-11 — — US disclosed
EP-0304888-A1 Sulfonamidolphenyl derivates and therapeutic and preventive agents for arrythmia containing same Eisai Co., Ltd. (JP) 1989-03-01 — — EP disclosed
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