SCHEMBL9650231

SCHEMBL9650231

NC(=O)C1CCC(C(=O)N(Cl)Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
NOS2 P35228 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11136534 0.87 HTT (0.35) KMT2AHTTMEN1
SCHEMBL27342409 0.87
SCHEMBL13332956 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2AATM
SCHEMBL383436 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2AATM
Cyclopropanecarboxylic Acid Amide SCHEMBL6927157 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2AATM
SCHEMBL28418543 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2AATM
SCHEMBL9797557 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2AATM
Cyclopropanecarboxylic Acid Amide SCHEMBL5661 0.79
SCHEMBL10896455 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTKMT2AATM
SCHEMBL3346344 0.76 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTKMT2AATM

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
US-5162575-A Reacting organic base with halogenated amide in solvent OLIN CORPORATION (US) 1992-11-10 US disclosed