SCHEMBL11569239

SCHEMBL11569239

CCC(O)CN1N=C(c2ccc(Cl)cc2)CC(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.38
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
HTR7 P34969 3/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11561098 0.76 ALDH1A1 (0.43) KMT2ARAB9ALMNAKDM4EALDH1A1
SCHEMBL11527377 0.76 MEN1 (0.41) MEN1KMT2AL3MBTL1RAB9ADRD2
SCHEMBL20159374 0.74 SMN1; SMN2 (0.39) MEN1KMT2AL3MBTL1RAB9ALMNA
SCHEMBL20159516 0.74 PDE4B (0.34) MEN1KMT2AL3MBTL1
SCHEMBL20142913 0.70 SMN1; SMN2 (0.39) MEN1KMT2AL3MBTL1RAB9ALMNA
SCHEMBL20138839 0.70 CYP19A1 (0.39) MEN1KMT2AL3MBTL1RAB9ALMNA
SCHEMBL11529915 0.69 PDE4D (0.43)
SCHEMBL11568698 0.69 MAOB (0.40) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11529917 0.69 PDE4D (0.43)
SCHEMBL11529928 0.69 PDE4D (0.43)

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-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US claimed
US-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed
US-4055644-A CNS DEPRESSANTS SANDOZ, INC. (US) 1977-10-25 US disclosed
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US disclosed