SCHEMBL3965662

SCHEMBL3965662

CC(=O)Oc1ccc(N2CCN(c3ccc(NC(=O)Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.79
▸ NPSR1 Q6W5P4 1/20 0.79
▸ ALDH1A1 P00352 8/20 0.76
▸ MAPT P10636 7/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ USP2 O75604 1/20 0.76
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ NR2F2 P24468 1/20 0.54
▸ THRB P10828 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDR P35968 2/20 0.52
▸ FLT1 P17948 1/20 0.52

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
SCHEMBL20013063 0.90 MAPT (0.86) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL2543995 0.90 GAA (0.79) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL12240583 0.88 GAA (0.81) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL3835741 0.88 GAA (1.00) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL3898025 0.86 GAA (1.00) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL20644396 0.85 KMT2A (0.78) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL11145831 0.85 ALDH1A1 (0.76) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL28151038 0.85 ALDH1A1 (0.78) GAANPSR1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL23040411 0.85 MAPT (0.78) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL7885204 0.82 GAA (0.70) GAANPSR1ALDH1A1MAPTKMT2A

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-2009141837-A2 PROCESS FOR PREPARING POSACONAZOLE AND INTERMEDIATES THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 — — WO disclosed
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