SCHEMBL9055426

SCHEMBL9055426

CN(C)CCCNC1NCCCS1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9053916 0.90 L3MBTL1 (0.31)
SCHEMBL9058464 0.81 GNAI3 (0.35)
SCHEMBL9059048 0.79 PKM (0.43) KMT2ASMN1; SMN2
SCHEMBL9054939 0.78
SCHEMBL9053756 0.73
SCHEMBL9058287 0.72 PKM (0.51) KMT2A
SCHEMBL9056287 0.70
SCHEMBL9059050 0.70
SCHEMBL9056292 0.67
SCHEMBL8851721 0.63 GNAI3 (0.58) KMT2ASMN1; SMN2SIGMAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014842-A1 SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO claimed