SCHEMBL30360205

SCHEMBL30360205

CC(C)c1ccc(CNc2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.71
ALDH1A1 P00352 9/20 0.71
CYP2C9 P11712 5/20 0.67
CYP2C19 P33261 5/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.65
NPC1 O15118 2/20 0.65
HTT P42858 2/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
LMNA P02545 3/20 0.61
MAPK1 P28482 1/20 0.61
DCTPP1 Q9H773 3/20 0.59
NPSR1 Q6W5P4 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR6 P50406 2/20 0.57
SIRT6 Q8N6T7 1/20 0.56

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
SCHEMBL2388537 1.00 MAPT (0.71) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2389827 0.91 MAPT (0.75) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1846466 0.90 MAPT (0.82) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1841546 0.89 MAPT (0.72) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1843801 0.86 MAPT (0.70) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1842179 0.84 MAPT (0.71) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1845699 0.84 MAPT (0.70) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1844319 0.82 MAPT (0.67) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1842419 0.82 DCTPP1 (0.69) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1847097 0.82 MAPT (0.82) MAPTALDH1A1CYP2C9CYP2C19CYP1A2

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
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 US disclosed