SCHEMBL20482181

SCHEMBL20482181

CC1Cc2[c]cccc2O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
CREBBP Q92793 3/20 0.41
TDP1 Q9NUW8 1/20 0.33
PBRM1 Q86U86 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 3/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 2/20 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
SCHEMBL5543672 0.81 CA1 (0.35) BRD4CREBBPHPGD
SCHEMBL3342928 0.72 SIRT1 (0.38) HPGD
SCHEMBL2884627 0.70 BRD4 (0.33) BRD4CREBBP
SCHEMBL2247994 0.69 MAOA (0.41) BRD4CREBBPTDP1SMN1; SMN2MAOA
SCHEMBL3487104 0.69 MAOA (0.41) BRD4CREBBPTDP1SMN1; SMN2MAOA
SCHEMBL2885484 0.69 BRD4 (0.32) BRD4CREBBP
SCHEMBL2884998 0.69 BRD4 (0.32) BRD4CREBBP
SCHEMBL8470150 0.67 BRD4 (0.50) BRD4CREBBPTDP1MAOAHPGD
SCHEMBL765957 0.67 BRD4 (0.50) BRD4CREBBPTDP1MAOAHPGD
SCHEMBL8471197 0.67 BRD4 (0.50) BRD4CREBBPTDP1MAOAHPGD

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-2018153508-A2 SULFOXIMINE GLYCOSIDASE INHIBITORS Asceneuron S.A. (CH) 2018-08-30 WO disclosed