SCHEMBL9509533

SCHEMBL9509533

CC1(C(=O)NCC(=O)NCc2ccccc2)CC1(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9788334 0.89 MEN1 (0.53) SMN1; SMN2GAAKMT2ARAB9AALDH1A1
SCHEMBL9508402 0.89 KMT2A (0.50) SMN1; SMN2KMT2ARAB9AALDH1A1LMNA
SCHEMBL7529131 0.74 GAA (0.59) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL14617667 0.74 SMN1; SMN2 (0.81) SMN1; SMN2KDM4EGAAKMT2ARAB9A
SCHEMBL25412009 0.73 GAA (0.63) SMN1; SMN2KDM4EGAAKMT2ARAB9A
SCHEMBL12765264 0.72 GAA (0.61) SMN1; SMN2KDM4EGAAKMT2AALDH1A1
SCHEMBL25410244 0.72 GAA (0.61) SMN1; SMN2KDM4EGAAKMT2ARAB9A
SCHEMBL14511474 0.72 GAA (0.61) KDM4EGAAKMT2ARAB9AALDH1A1
SCHEMBL16349729 0.71 GAA (0.56) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL14576864 0.71 PPIB (0.63) SMN1; SMN2GAAKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398059-B1 CYCLOPROPANOYLAMINOACID AMIDE DERIVATIVES BAYER AG (DE) 1993-08-25 EP disclosed
US-5034408-A Fungicides of dihalocyclopropanoylamino acid amides BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0398059-A1 Cyclopropanoylaminoacid amide derivatives BAYER AG (DE) 1990-11-22 EP disclosed