SCHEMBL10409449

SCHEMBL10409449

CCN(C)CCOc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.68
KDM4E B2RXH2 7/20 0.67
ATM Q13315 1/20 0.59
ALDH1A1 P00352 5/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL10409505 0.98 KCNH2 (0.67) KCNH2KDM4EATMALDH1A1CHRNB2
SCHEMBL29413774 0.85 KDM4E (0.84) KCNH2KDM4ESMN1; SMN2KMT2A
SCHEMBL1023508 0.85 KDM4E (0.84) KCNH2KDM4ESMN1; SMN2KMT2A
SCHEMBL12885024 0.78 KDM4E (0.69) KCNH2KDM4EATMALDH1A1LMNA
SCHEMBL13261015 0.78 KDM4E (0.64) KCNH2KDM4EATMALDH1A1LMNA
SCHEMBL14924417 0.75 KCNH2 (0.67) KCNH2KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL14923990 0.75 CHRNB2 (0.51) KCNH2KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL1548013 0.74 KDM4E (0.58) KCNH2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17383765 0.74 KCNH2 (0.56) KCNH2ALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL20503253 0.74 KDM4E (0.63) KCNH2KDM4EALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP disclosed