SCHEMBL11133564

SCHEMBL11133564

CCOCCOC(=O)C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ CSNK2A1 P68400 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KMT2A Q03164 9/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 2/20 0.48

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
SCHEMBL11144373 0.92 KMT2A (0.61) MAPTMAPK1NPC1KMT2AMEN1
SCHEMBL11136396 0.85 SMN1; SMN2 (0.61) MAPTMAPK1NPC1RAB9AKMT2A
SCHEMBL11139020 0.81 CSNK2A1 (0.66) MAPTMAPK1CSNK2A1NPC1RAB9A
SCHEMBL11142941 0.79 RAB9A (0.57) MAPTMAPK1NPC1RAB9AKMT2A
SCHEMBL11120333 0.77 PARP1 (0.59) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL10519110 0.77 ALDH1A1 (0.42) MAPTMAPK1NPC1RAB9AKMT2A
SCHEMBL12302712 0.77 MEN1 (0.67) MAPTMAPK1CSNK2A1NPC1RAB9A
SCHEMBL24263371 0.76 NPC1 (0.65) MAPTMAPK1CSNK2A1NPC1RAB9A
SCHEMBL11141222 0.76 LMNA (0.46) MAPTMAPK1NPC1RAB9AKMT2A
SCHEMBL1821135 0.75 KMT2A (0.69) MAPTMAPK1CSNK2A1NPC1RAB9A

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-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
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