SCHEMBL8697497

SCHEMBL8697497

CCOC(=O)Oc1[nH]c2c3ccccc3n(C)c2c1-c1ccc(OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL8696580 0.85 ALDH1A1 (0.46) MAPTGAAKMT2ALMNASMN1; SMN2
SCHEMBL8551025 0.79 GAA (0.44) L3MBTL1MAPTGAAKMT2AATM
SCHEMBL8696358 0.78 CLK1 (0.42) L3MBTL1PKMKMT2ARAB9ASMN1; SMN2
SCHEMBL8697402 0.78 NTRK1 (0.39) L3MBTL1MAPTGAAKMT2AHSD17B10
SCHEMBL8698594 0.77 PTPN1 (0.39) MAPTGAAKMT2ALMNASMN1; SMN2
SCHEMBL8697275 0.76 PTPN1 (0.42) PKMMAPTSMN1; SMN2ADORA2B
SCHEMBL8702719 0.75 ALDH1A1 (0.41) L3MBTL1MAPTGAAKMT2ALMNA
SCHEMBL8697591 0.75 PTPN1 (0.46) MAPTGAAKMT2ASMN1; SMN2ADORA2A
SCHEMBL8697633 0.75 POLB (0.37) KMT2A
SCHEMBL8551848 0.74 CTSV (0.52) GAAKMT2ATUBB4ATUBBTUBA3C

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-1998042709-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed