SCHEMBL9249804

SCHEMBL9249804

CCC(=O)NC(=N)NC#N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1071241 0.79 MEN1 (0.42) MCL1MEN1KMT2ASMN1; SMN2
SCHEMBL11387897 0.79
SCHEMBL11390408 0.79 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1704415 0.77
SCHEMBL1818413 0.76
SCHEMBL29172343 0.75
SCHEMBL28838549 0.75
SCHEMBL11398346 0.75 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL11405604 0.75 TSHR (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL17919017 0.73

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
US-5384385-A Adhesives BAYER AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0543250-A1 Reactive masses of two-component polyurethanes BAYER AG (DE) 1993-05-26 EP disclosed
US-4265905-A FOR AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1981-05-05 US disclosed
US-4202903-A Acyl cyanoguanidines for treating rheumatoid arthritis MERCK & CO., INC. (US) 1980-05-13 US disclosed