SCHEMBL9534588

SCHEMBL9534588

CSC(=NC#N)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL9534584 1.00 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL11509175 0.80 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL11162273 0.80 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL11162276 0.80 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL7764147 0.75
SCHEMBL7764143 0.75
SCHEMBL21222594 0.75
SCHEMBL18949625 0.73
SCHEMBL9534705 0.72 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL23505665 0.72 MEN1 (0.33)

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-0377528-B1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1993-12-08 EP disclosed
US-5001134-A Piperidines, processes of preparation and medications containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1991-03-19 US disclosed
EP-0377528-A1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-07-11 EP disclosed
US-4684398-A Herbicidal cyanoguanidines and cyanoisothioureas THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4491595-A Combating fungi with trisubstituted cyanoguanidines BAYER AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 US disclosed