SCHEMBL9065988

SCHEMBL9065988

CC1CC(=O)N=C(c2ccc(C3=NC(=O)CC(C)O3)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 7/20 0.35
MAOB P27338 7/20 0.34
BRD4 O60885 4/20 0.34
CREBBP Q92793 4/20 0.34
PBRM1 Q86U86 1/20 0.33
PARP1 P09874 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6205578 0.91 MAOB (0.40) SMN1; SMN2MAOAMAOBBRD4CREBBP
SCHEMBL2783537 0.71 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL9667808 0.64 ALDH1A1 (0.38) SMN1; SMN2MAOAMAOBALDH1A1
SCHEMBL1338840 0.63 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GRM2
SCHEMBL13934519 0.62 MEN1 (0.45) SMN1; SMN2ALDH1A1GRM2KDM4E
SCHEMBL6136318 0.61 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL10522808 0.61 KCNH2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL35509 0.61
SCHEMBL432483 0.61
SCHEMBL374192 0.61

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
EP-0737231-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1996-10-16 EP disclosed
WO-1995018181-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1995-07-06 WO disclosed