SCHEMBL11528447

SCHEMBL11528447

CCNC(=O)N1CCCCS1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.42
BRD4 O60885 1/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL11528812 0.79 POLB (0.43)
SCHEMBL11525942 0.77 POLB (0.41)
SCHEMBL11677031 0.73 NPC1 (0.32) MAPTALDH1A1
SCHEMBL965286 0.71 KMT2A (0.82) KMT2AHTTALDH1A1MAPK1
SCHEMBL8535996 0.71
SCHEMBL11674140 0.71
SCHEMBL11675174 0.70
SCHEMBL966438 0.70 KMT2A (0.78) KMT2AHTTALDH1A1MAPK1
SCHEMBL17273858 0.70 KMT2A (0.78) KMT2AHTTALDH1A1MAPK1
SCHEMBL4803949 0.70 KMT2A (0.78) KMT2AHTTALDH1A1MAPK1

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-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed