SCHEMBL5803752

SCHEMBL5803752

[CH2]C(=O)Nc1cc(C)on1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALDH1A1 P00352 4/20 0.61
EGFR P00533 1/20 0.61
GAA P10253 1/20 0.61
RAB9A P51151 10/20 0.57
NPC1 O15118 8/20 0.57
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
GAPDH P04406 1/20 0.53

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
SCHEMBL29128652 0.85 RAB9A (0.61) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL1888991 0.83 MAPT (0.69) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL1430419 0.82 MAPT (0.67) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL172042 0.80 MAPT (0.65) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL171882 0.80 MAPT (0.70) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL15427115 0.78 MAPT (1.00) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL14877486 0.78 RAB9A (0.63) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL15255707 0.78 RAB9A (0.63) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL11643675 0.78 MAPT (0.62) MAPTALDH1A1EGFRGAARAB9A
SCHEMBL2632916 0.78 ALDH1A1 (0.63) MAPTALDH1A1EGFRGAARAB9A

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
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed